| SpectraBase Spectrum ID |
COnGhq0QL3J |
| Name |
Abietal |
| CAS Registry Number |
13601-88-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
284.214015521 u |
| Formula |
C20H28O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1 |
| InChIKey |
YCLCHPWRGSDZKL-SLFFLAALSA-N |
| Molecular Weight |
284.443 g/mol |
| Nominal Mass |
284 u |
| Number of Peaks |
223 |
| SMILES |
C[C@]12c3c(CC[C@]2([C@@](C=O)(C)CCC1)[H])cc(cc3)C(C)C |
| SPLASH |
splash10-0awc-1950000000-204e5021036f780be895 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000007 |
