1,3a-Ethano-3aH-indene, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-, [1R-(1α,3aα,7aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12?,14-,15?/m1/s1
- IUPAC Standard InChIKey: ZCJQJJWNFDNQGZ-HNFVBEJKSA-N
- CAS Registry Number: 4545-68-0
- 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: Neoclovene; (-)-α-Neoclovene; α-Neoclovene
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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 | HP-5MS | DB-5 | BPX-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 60. |
| Tend (C) | 280. | 250. | 240. | 280. |
| Heat rate (K/min) | 4. | 5. | 3. | 4. |
| Initial hold (min) | 5. | 2. | 2. | 5. |
| Final hold (min) | ||||
| I | 1434. | 1454. | 1455. | 1451. |
| Reference | Saroglou, Dorizas, et al., 2006 | Su, Ho, et al., 2006 | Shellie, Marriott, et al., 2003 | Skaltsa, Mavrommati, et al., 2001 |
| 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.
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]
Shellie, Marriott, et al., 2003
Shellie, R.A.; Marriott, P.J.; Huie, C.W.,
Comprehensive two-dimensional gas chromatography (GC × GC) and GC × GC-quadrupole MS analysis of Asian and American ginseng,
J. Sep. Sci., 2003, 26, 12-13, 1185-1192, https://doi.org/10.1002/jssc.200301404
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [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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