(5R,6R)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinyl-6,7-dihydrobenzofuran-4(5H)-one
- Formula: C15H18O2
- Molecular weight: 230.3022
- IUPAC Standard InChI: InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m1/s1
- IUPAC Standard InChIKey: ZVMJXSJCBLRAPD-UKRRQHHQSA-N
- CAS Registry Number: 20493-56-5
- 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: 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, (5R,6R)-; 4(5H)-Benzofuranone, 6,7-dihydro-5?-isopropenyl-3,6?-dimethyl-6-vinyl-; 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, trans-; 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-; Curzerenone
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Normal alkane RI, non-polar column, temperature ramp
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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 |
|---|---|---|---|
| Active phase | Polydimethyl siloxane with 5 % Ph | DB-1 | DB-5MS |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 80. | 60. | 60. |
| Tend (C) | 200. | 250. | 280. |
| Heat rate (K/min) | 5. | 5. | 3. |
| Initial hold (min) | 5. | 30. | |
| Final hold (min) | 25. | 15. | |
| I | 1590. | 1610. | 1568. |
| Reference | Priya, Prathapan, et al., 2012 | Facundo, Pinto, et al., 2005 | Marongiu, Piras, et al., 2005 |
| Comment | 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.
Priya, Prathapan, et al., 2012
Priya, R.; Prathapan, A.; Raghu, K.G.; Menon, A.N.,
Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves,
Asian Pacific Journal of Tropical Biomedicine, 2012, 2, 2, s695-s699, https://doi.org/10.1016/S2221-1691(12)60298-6
. [all data]
Facundo, Pinto, et al., 2005
Facundo, V.A.; Pinto, A.C.; Rezende, C.M.,
Aroma compounds and volatile chemical composition of Ruellia menthoides (Nees) Hiern,
Flavour Fragr. J., 2005, 20, 1, 93-95, https://doi.org/10.1002/ffj.1380
. [all data]
Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A.,
Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L.,
J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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