(3R,5aS,9aR)-2,2,5a,9-Tetramethyl-3,4,5,5a,6,7-hexahydro-2H-3,9a-methanobenzo[b]oxepine
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChIKey: ZLQADKTVJQXDIG-UHFFFAOYSA-N
- CAS Registry Number: 5956-12-7
- 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: 2H-3,9a-Methano-1-benzoxepin, 3,4,5,5a,6,7-hexahydro-2,2,5a,9-tetramethyl-, (3R,5aS,9aR)-; 2H-3,9a-Methano-1-benzoxepin, 3,4,5,5a,6,7-hexahydro-2,2,5a,9-tetramethyl-, [3R-(3α,5aα,9aα)]-; 5β,10α-Eudesm-3-ene, 5,11-epoxy-; α-Agarofuran; Dehydrodeoxybaimuxinol; α-Agarofurane; α-agorofuran
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Van Den Dool and Kratz 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 |
---|---|---|---|---|
Active phase | RTX-1 | HP-5 | RTX-1 | HP-5 |
Column length (m) | 60. | 30. | 60. | 30. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.22 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 60. | 40. |
Tend (C) | 220. | 250. | 230. | 240. |
Heat rate (K/min) | 2. | 3. | 2. | 3. |
Initial hold (min) | ||||
Final hold (min) | 20. | 45. | ||
I | 1536. | 1543. | 1535. | 1546. |
Reference | Cozzani, Muselli, et al., 2005 | Isidorov, Krajewska, et al., 2004 | Cavalli, Tomi, et al., 2003 | Shellie and Marriott, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Isidorov, Krajewska, et al., 2004
Isidorov, V.A.; Krajewska, U.; Vinogorova, V.T.; Vetchinnikova, L.V.; Fuksman, I.L.; Bal, K.,
Gas chromatographic analysis of essential oil from buds of different birch species with preliminary partition of components,
Biochem. Syst. Ecol., 2004, 32, 1, 1-13, https://doi.org/10.1016/S0305-1978(03)00175-3
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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