(1R,3S,4S)-1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]oct-5-ene
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3
- IUPAC Standard InChIKey: VLUGOADEEDGFLB-UHFFFAOYSA-N
- CAS Registry Number: 211237-38-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 2-Oxabicyclo[2.2.2]oct-5-ene, 1,3-dimethyl-3-(4-methyl-3-penten-1-yl)-, (1R,3S,4S)-; 2-Oxabicyclo[2.2.2]oct-5-ene, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-, (1R,3S,4S)-; Dehydrosesquicineole; 7-epi-1,2-Dehydrosesquicineole
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1473.3 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1727. | Tosun, Kürkcüoglu, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1727. | Tabanca, Demirci, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Tosun, Kürkcüoglu, et al., 2006
Tosun, A.; Kürkcüoglu, M.; Dogan, E.; Duman, H.; Baser, K.H.C.,
Essential oil composition of Seseli petraeum M. Bieb. and Seseli andronakii Woron. growing in Turkey,
Flavour Fragr. J., 2006, 21, 2, 257-259, https://doi.org/10.1002/ffj.1572
. [all data]
Tabanca, Demirci, et al., 2005
Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey,
J. Chromatogr. A, 2005, 1097, 1-2, 192-198, https://doi.org/10.1016/j.chroma.2005.10.047
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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