| SpectraBase Spectrum ID |
9PA6neZWHXH |
| Name |
Abietol |
| CAS Registry Number |
666-84-2 |
| 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 |
288.245315649 u |
| Formula |
C20H32O |
| 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/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey |
GQRUHVMVWNKUFW-LWYYNNOASA-N |
| Molecular Weight |
288.475 g/mol |
| Nominal Mass |
288 u |
| Number of Peaks |
239 |
| SMILES |
OC[C@]1([C@]2([C@@]([C@]3(CCC(C(C)C)=CC3=CC2)[H])(CCC1)C)[H])C |
| SPLASH |
splash10-052r-3940000000-9e5fb42c39fea90cbb2d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001417 |
