Decanoic acid, ethyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N
- CAS Registry Number: 110-38-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Capric acid, ethyl ester; Ethyl caprate; Ethyl caprinate; Ethyl decanoate; Ethyl decylate; n-Capric acid ethyl ester; Ethyl ester of decanoic acid; Ethyl n-decanoate; NSC 8909
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Normal alkane RI, polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Supelco CO Wax-10 | Supelco CO Wax-10 | Supelco CO Wax-10 | Innowax |
Column length (m) | 60. | 60. | 60. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) | not specified | not specified | not specified |
I | 1643. | 1635. | 1645. | 1652. | 1647. |
Reference | Lee, Chong, et al., 2012 | Prompona, Kandylis, et al., 2012 | Prompona, Kandylis, et al., 2012 | Prompona, Kandylis, et al., 2012 | Siristova, Prinosilova, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Supelko CO Wax | Supelko CO Wax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | Helium | Helium | Hydrogen | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | not specified | 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) | |
I | 1638. | 1643. | 1662. | 1647. | 1652. |
Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Sampaio, Garruti, et al., 2011 | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelko CO Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | not specified | 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
I | 1652. | 1629. | 1651. | 1623. | 1651. |
Reference | Vekiari, Orepoulou, et al., 2010 | Zhao, Xu, et al., 2009 | Li, Tao, et al., 2008 | Tao, Wenlai, et al., 2008 | Yongsheng, Hua, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | DB-Wax Etr | DB-Wax | HP-Innowax |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.5 |
Program | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min) | 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min) |
I | 1639. | 1651. | 1644. | 1625. | 1665. |
Reference | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Li, Tao, et al., 2007 | Loskos, Hernandez-Orte, et al., 2007 | Tian, Zhang, et al., 2007 | Weldegergis B.T., Tredoux A.G.J., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Innowax | Carbowax 20M | HP-Innowax FSC | Carbowax 20M |
Column length (m) | 30. | 60. | 60. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 50C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
I | 1634. | 1648. | 1624. | 1647. | 1624. |
Reference | Riu-Aumatell, Bosch-Fuste´, et al., 2006 | Selli, Kürkçüoglu, et al., 2004 | Vinogradov, 2004 | Erdemoglu, Sener, et al., 2003 | Krings, Banavara, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Innowax | CP-Wax 52CB | Supelcowax-10 | TRWAX |
Column length (m) | 30. | 60. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) | 50C(5min) => 7C/min => 180C => 10C/min => 240C(10min) | 40C(20min) => (1.5C/min) => 200C => (10C/min) => 250C(120min) | not specified |
I | 1633. | 1647. | 1635. | 1610. | 1655. |
Reference | Selli, Cabaroglu, et al., 2003 | Tunaher, Kirimer, et al., 2003 | Escalona, Birkmyre, et al., 2002 | Rogerson and de Freitas, 2002 | Torrens, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | Nukol | Supelcowax-10 | Carbowax 20M | PEG |
Column length (m) | 30. | 25. | 60. | 50. | 40. |
Carrier gas | He | N2 | N2 | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.182 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.30 | |
Program | 50C(5min) => 7C/min => 180C => 10C/min => 240C(10min) | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) | 40C(20min) => 1.5C/min => 200C(4min) => 10C/min => 250C(120min) | 60C => 2C/min => 150C => 4C/min => 220C | 35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min) |
I | 1631. | 1622. | 1639. | 1623. | 1646. |
Reference | Escalona, Birkmyre, et al., 2001 | López and Dufour, 2001 | Rogerson, Castro, et al., 2001 | Teai, Claude-Lafontaine, et al., 2001 | Vas, Gal, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Polyethylene Glycol | DB-Wax | Carbowax 20M | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. |
Column length (m) | 30. | 50. | 50. | ||
Carrier gas | Hydrogen | ||||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | ||||
Program | 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min) | not specified | not specified | not specified | not specified |
I | 1651. | 1639. | 1645. | 1624. | 1631. |
Reference | Miranda-Lopez, Libbey, et al., 1992 | Grundschober, 1991 | Peng, Yang, et al., 1991 | Shibamoto, 1987 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 60. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1645. | 1647. |
Reference | Fagan, Kepner, et al., 1982 | Fagan, Kepner, et al., 1982 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q.,
Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
Uncorrected proof, 2012, 000-000. [all data]
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health,
Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127
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Siristova, Prinosilova, et al., 2012
Siristova, L.; Prinosilova, S.; Riddellova, K.; Hajslova, J.; Malzoch, K.,
Changes in quality parameters of vodka filtered through activated charcoal,
Czech J. Food Sci., 2012, 30, 5, 474-482. [all data]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
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Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP.,
Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration,
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Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D.,
Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece,
Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709
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Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
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Li, Tao, et al., 2008
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli Counti (China),
Eur. Food. Res. Technol., 2008, 227, 1, 287-292, https://doi.org/10.1007/s00217-007-0722-9
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Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
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Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z.,
Volatile composition of young Cabernet Savignon red wine from Changli Counti (China),
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Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S.,
Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis,
Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053
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Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli County (China),
Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0722-9
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Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions,
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Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Weldegergis B.T., Tredoux A.G.J., et al., 2007
Weldegergis B.T.; Tredoux A.G.J.; Crouch A.M.,
Application of a headspace sorptive extraction method for the analysis of volatile components in South African wines,
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Riu-Aumatell, Bosch-Fuste´, et al., 2006
Riu-Aumatell, M.; Bosch-Fuste´, J.; Lopez-Tamames, E.; Buxaderas, S.,
Development of volatile compounds of cava (Spanish sparkling wine) during long ageing time in contact with lees,
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Selli, Kürkçüoglu, et al., 2004
Selli, S.; Kürkçüoglu, M.; Kafkas, E.; Cabaroglu, T.; Demirci, B.; Baser, K.H.C.; Canbas, A.,
Volatile flavour components of mandarin wine obtained from clementines (Citrus reticula Blanco) extracted by solid-phase microextraction,
Flavour Fragr. J., 2004, 19, 5, 413-416, https://doi.org/10.1002/ffj.1323
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C.,
The glycosidically bound volatile compounds of Taxus baccata,
Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960
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Krings, Banavara, et al., 2003
Krings, U.; Banavara, D.S.; Berger, R.G.,
Thin layer high vacuum distillation to isolate the flavor of high-fat food,
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Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A.,
Flavour components of orange wine made from a Turkish cv. Kozan,
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Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
Holzforschung, 2003, 57, 140-144. [all data]
Escalona, Birkmyre, et al., 2002
Escalona, H.; Birkmyre, L.; Piggott, J.R.; Paterson, A.,
Effect of maturation in small oak casks on the volatility of red wine aroma compounds,
Anal. Chim. Acta., 2002, 458, 1, 45-54, https://doi.org/10.1016/S0003-2670(01)01538-0
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Rogerson and de Freitas, 2002
Rogerson, F.S.S.; de Freitas, V.A.P.,
Fortification spirit, a contributor to the aroma complexity of port,
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Torrens, 2002
Torrens, J.,
El análisis del aroma aplicado al control de calidad del cava [CS2002 Análisis sensorial (vino)], 2002, retrieved from http://www.percepnet.com/documenta/CS0203.pdf. [all data]
Escalona, Birkmyre, et al., 2001
Escalona, H.; Birkmyre, L.; Piggott, J.R.; Paterson, A.,
Relationship between sensory perception volatile and phenolic components in commercial Spanish red wines from different regions,
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López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
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Rogerson, Castro, et al., 2001
Rogerson, F.S.S.; Castro, H.; Fortunato, N.; Azevedo, Z.; Macedo, A.; de Freitas, V.A.P.,
Chemicals with sweet aroma descriptors found in Portuguese wines from the Douro region: 2,6,6-trimethylcyclohex-2-ene-1,4-dione and diacetyl,
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Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
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Vas, Gal, et al., 1998
Vas, G.; Gal, L.; Harangi, J.; Dobo, A.; Vekey, K.,
Determination of volatile aroma compounds of Blaeufrankisch wines extracted by solid-phase microextraction,
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Miranda-Lopez, Libbey, et al., 1992
Miranda-Lopez, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Odor analysis of Pinot noir wines from grapes of different maturities by a gas chromatography-olfactometry technique (Osme),
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Grundschober, 1991
Grundschober, F.,
The identification of individual components in flavourings and flavoured foods,
Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508
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Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
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. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Fagan, Kepner, et al., 1982
Fagan, G.L.; Kepner, R.E.; Webb, A.D.,
Additional volatile components of Palomino film sherry,
Am. J. Enol. Vitic, 1982, 33, 1, 47-50. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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