| SpectraBase Spectrum ID |
KSu5hQan345 |
| Name |
Abietal |
| CAS Registry Number |
6704-50-3 |
| 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 |
286.229665585 u |
| Formula |
C20H30O |
| 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/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey |
HOFSYSONRIGEAC-LWYYNNOASA-N |
| Molecular Weight |
286.459 g/mol |
| Nominal Mass |
286 u |
| Number of Peaks |
226 |
| SMILES |
C1[C@]2(C(C=C(C1)C(C)C)=CC[C@@]1([C@@]2(CCC[C@@]1(C)C=O)C)[H])[H] |
| SPLASH |
splash10-000i-2930000000-1de79198cf58688713b7 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001416 |
