β-Copaene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: UPVZPMJSRSWJHQ-UWMJVVDFSA-N
- CAS Registry Number: 18252-44-3
- 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. - Stereoisomers:
- Other names: Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer; (1R,2S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decane-rel-; Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-rel-; Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer; Tricyclo[4.4.0.02,7]decane, 8-isopropyl-1-methyl-3-methylene-, anti-8-; (.+/-.)-β-Copaene; cis-β-Copaene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
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 | HP-5 | HP-5 | HP-5 | HP-5 | RTX-1 |
Column length (m) | 25. | 25. | 25. | 30. | 60. |
Carrier gas | Hydrogen | Hydrogen | Hydrogen | Hydrogen | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.22 |
Phase thickness (μm) | 0.52 | 0.52 | 0.52 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 70. | 60. |
Tend (C) | 280. | 280. | 280. | 290. | 230. |
Heat rate (K/min) | 4. | 4. | 4. | 5. | 2. |
Initial hold (min) | |||||
Final hold (min) | 10. | 10. | 10. | 30. | |
I | 1422. | 1422. | 1422. | 1437. | 1425. |
Reference | Velickovic, Ristic, et al., 2012 | Velickovic, Ristic, et al., 2012 | Velickovic, Ristic, et al., 2012 | Radulovic, Dordevic, et al., 2010 | Museli, Pau, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-1 | DB-5 MS | VF-5MS | SLB-5 MS | ZB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 240. | 50. | 45. |
Tend (C) | 230. | 220. | 320. | 250. | 230. |
Heat rate (K/min) | 2. | 3. | 20. | 3. | 3. |
Initial hold (min) | 2. | 1. | 2. | ||
Final hold (min) | 30. | 70. | 10. | ||
I | 1430. | 1424. | 1435. | 1432. | 1424. |
Reference | Museli, Pau, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Kowalski, 2008 | Lo Presti, Sciarrone, et al., 2008 | Mierendorff, Stahl-Biskup, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-1 | HP-5MS | HP-5MS | DB-5 | DB-5 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 40. |
Tend (C) | 230. | 240. | 280. | 320. | 210. |
Heat rate (K/min) | 2. | 3. | 3. | 10. | 2. |
Initial hold (min) | |||||
Final hold (min) | 35. | 4. | 33. | ||
I | 1426. | 1433. | 1422. | 1435. | 1426. |
Reference | Paolini, Tomi, et al., 2008 | Argyropoulou, Daferera, et al., 2007 | Basta, Pavlovic, et al., 2007 | Smelcerovic, Spiteller, et al., 2007 | Sylvestre, Longtin, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Elite-5MS | BP-1 | HP-5 | BP-1 | DB-5 |
Column length (m) | 30. | 50. | 30. | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 50. | 60. | 60. |
Tend (C) | 280. | 220. | 300. | 220. | 220. |
Heat rate (K/min) | 4. | 2. | 5. | 2. | 4. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 10. | 20. | 5. | 20. | |
I | 1448. | 1429. | 1430. | 1427. | 1435. |
Reference | Tava, Pecetti, et al., 2007 | Boti, Yao, et al., 2006 | Figuérédo, Cabassu, et al., 2006 | Lesueur, Ban, et al., 2006 | Morteza-Semnani K., Akbarzadeh M., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5 | DB-5 | HP-5 |
Column length (m) | 30. | 25. | 30. | 30. | 25. |
Carrier gas | He | N2 | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.33 |
Tstart (C) | 60. | 50. | 60. | 60. | 30. |
Tend (C) | 220. | 200. | 220. | 200. | 280. |
Heat rate (K/min) | 4. | 4. | 5. | 2. | 3. |
Initial hold (min) | 5. | 3. | 10. | ||
Final hold (min) | 60. | ||||
I | 1434. | 1437. | 1426. | 1388. | 1400. |
Reference | Morteza-Semnani K., Saeedi M., et al., 2006 | Ouamba, Ouabonzi, et al., 2006 | Pintore G., Chessa M., et al., 2006 | Rout, Naik, et al., 2006 | Shafi, Jose, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | DB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 25. | 50. | 25. | 30. | 30. |
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.3 | 0.3 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.15 | 0.25 | 0.15 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 40. | 60. | 60. |
Tend (C) | 210. | 240. | 220. | 240. | 240. |
Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
Initial hold (min) | 5. | 5. | |||
Final hold (min) | |||||
I | 1446. | 1429. | 1429. | 1428. | 1427. |
Reference | Tonzibo, Coffy, et al., 2006 | Chagonda and Chalchat, 2005 | Chagonda and Chalchat, 2005, 2 | Chaverri and Cicció, 2005 | Chaverri and Cicció, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | BPX5 | HP-5 | HP-5MS | CP Sil 5 CB |
Column length (m) | 60. | 25. | 30. | 30. | 30. |
Carrier gas | He | Helium | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.3 | 0.22 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 50. | 50. | 60. | 60. |
Tend (C) | 240. | 320. | 300. | 200. | 250. |
Heat rate (K/min) | 3. | 5. | 5. | 4. | 5. |
Initial hold (min) | 5. | 5. | 30. | ||
Final hold (min) | 5. | 10. | |||
I | 1428. | 1437. | 1430. | 1422. | 1440. |
Reference | Chalchat and Özcan, 2005 | Dickschat, Bode, et al., 2005 | Figuérédo, Cabassu, et al., 2005 | Gauvin and Smadja, 2005 | Jassbi, Mehrdad, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-1 | DB-1 | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 60. | 50. | 60. |
Tend (C) | 220. | 265. | 240. | 265. | 300. |
Heat rate (K/min) | 4. | 2.5 | 3. | 2.5 | 3. |
Initial hold (min) | 5. | 1. | 1. | ||
Final hold (min) | 20. | 20. | |||
I | 1432. | 1408. | 1412. | 1408. | 1432. |
Reference | Morteza-Semnani, Akbarzadeh, et al., 2005 | Sarkhail, Amin, et al., 2005 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | Sarkhail, Amin, et al., 2004 | Tirillini, Pellegrino, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | ZB-1 | CP Sil 5 CB | HP-5 | DB-1 |
Column length (m) | 30. | 30. | 25. | 60. | 60. |
Carrier gas | N2 | N2 | H2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | 0.25 |
Tstart (C) | 50. | 45. | 50. | 40. | 70. |
Tend (C) | 200. | 230. | 230. | 250. | 230. |
Heat rate (K/min) | 5. | 3. | 3. | 5. | 2. |
Initial hold (min) | 15. | 2. | |||
Final hold (min) | 20. | ||||
I | 1414. | 1424. | 1416. | 1430. | 1390. |
Reference | Fekam Boyom, Ngouana, et al., 2003 | Mierendorff, Stahl-Biskup, et al., 2003 | Oyedeji, Ekundayo, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Tu, Onishi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | 5 % Phenyl methyl siloxane | OV-101 | DB-5 | OV-101 | DB-5 |
Column length (m) | 30. | 25. | 25. | 25. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 75. | 50. | 60. | 50. | 65. |
Tend (C) | 200. | 200. | 220. | 200. | 300. |
Heat rate (K/min) | 3. | 5. | 3. | 5. | 4. |
Initial hold (min) | 4. | 2. | |||
Final hold (min) | 8. | ||||
I | 1432. | 1402. | 1431. | 1438. | 1442. |
Reference | Cicció and Gómez-Laurito, 2002 | Kuiate, Bessière, et al., 2002 | Schwob, Bessière, et al., 2002 | Ayedoun, Adéoti, et al., 1999 | Elias, Simoneit, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | DB-1 | DB-1 | DB-1 | DB-1 |
Column length (m) | 50. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | |||||
Tstart (C) | 50. | 50. | 50. | 30. | 30. |
Tend (C) | 250. | 230. | 250. | 210. | 210. |
Heat rate (K/min) | 2. | 4. | 4. | 2. | 2. |
Initial hold (min) | 0.1 | 4. | 4. | ||
Final hold (min) | 10. | 5. | |||
I | 1433. | 1424. | 1423. | 1418. | 1418. |
Reference | Orav, Kailas, et al., 1996 | Binder, Turner, et al., 1990 | Binder and Flath, 1989 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Velickovic, Ristic, et al., 2012
Velickovic, D.T.; Ristic, M.S.; Karabegovic, I.T.; Stojicevic, S.S.; Lazic, M.L.,
The influence of the distillation method on the chemical composition of the essential oil of sage (Salvia officinalis L.),
Advanced Technologies, 2012, 1, 1, 47-51. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
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Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
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Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
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Kowalski, 2008
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Antimicrobial activity of essential oils and extracts of rosinweed (Silphoum trifoliatum and Silphium integrifolium) plants used by the American Indians,
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Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
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Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
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Chemical composition of the essential oil from leaves of Lippia citriodora H.B.K. (Verbenaceae) at two developmental stages,
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Basta, Pavlovic, et al., 2007
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Essential oil composition of the flowerheads of Chrysanthemum coronarium L. from Greece,
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Tava, Pecetti, et al., 2007
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Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy,
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Lesueur, Ban, et al., 2006
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Morteza-Semnani K., Akbarzadeh M., et al., 2006
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The essential oil composition of Eupatorium cannabinum L. from Iran,
Flavour Fragr. J., 2006, 21, 3, 521-523, https://doi.org/10.1002/ffj.1687
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Morteza-Semnani K., Saeedi M., et al., 2006
Morteza-Semnani K.; Saeedi M.; Changizi S.,
The essential oil composition of Hypericum scabrum L. from Iran,
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Ouamba, Ouabonzi, et al., 2006
Ouamba, J.-M.; Ouabonzi, A.; Ekouya, A.; Bessière, J.-M.; Menut, C.; Abena, A.A.; Banzouzi, J.-T.,
Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae),
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Rout, Naik, et al., 2006
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Composition of the concrete, absolute, headspace and essential oil of the flowers of Michelia champaca Linn.,
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Shafi, Jose, et al., 2006
Shafi, P.M.; Jose, B.; Radhamani, K.T.; Clery, R.A.,
Influence of pH on essential oil composition of Zanthoxylum rhetsa seeds obtained by steam distillation,
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Tonzibo, Coffy, et al., 2006
Tonzibo, Z.F.; Coffy, A.A.; Chalachat, J.C.; N'guessan, Y.T.,
Chemical composition of essential oils of Hoslundia opposita Vahl. from Ivory Coast.,
Flavour Fragr. J., 2006, 21, 5, 789-791, https://doi.org/10.1002/ffj.1715
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Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402
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Chagonda and Chalchat, 2005, 2
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of the fruit of Garcinia huillensis Welw. ex. Oliv. from Zimbabwe,
Flavour Fragr. J., 2005, 20, 3, 313-315, https://doi.org/10.1002/ffj.1420
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Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F.,
Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii,
Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611
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Chalchat and Özcan, 2005
Chalchat, J.-C.; Özcan, M.,
Constituents of the essential oil of Sideritis erythantha Boiss. Heldr. Var. erythrantha,
Gen. Appl. Plant Physiology, 2005, 31, 1-2, 65-70. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
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Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel,
Flavour Fragr. J., 2005, 20, 164-168. [all data]
Gauvin and Smadja, 2005
Gauvin, A.; Smadja, J.,
Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study,
Biochem. Syst. Ecol., 2005, 33, 7, 705-714, https://doi.org/10.1016/j.bse.2004.12.013
. [all data]
Jassbi, Mehrdad, et al., 2005
Jassbi, A.R.; Mehrdad, M.; Soleimani, M.; Mirzaeian, M.; Sonboli, A.,
Chemical composition of the essential oils of Bunium elegans and Bunium caroides,
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Notes
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