| SpectraBase Spectrum ID |
B3KSFnJtjzS |
| Name |
Caryophylla-4(12),8(13)-dien5-beta-ol |
| CAS Registry Number |
19431-80-2 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14+/m1/s1 |
| InChIKey |
CIIYOYPOMGIECX-MCIONIFRSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
149 |
| SMILES |
O[C@@]1(C(CC[C@@]2([C@@](C(CC1)=C)(CC2(C)C)[H])[H])=C)[H] |
| SPLASH |
splash10-0006-9500000000-e8faf1e429635aee3796 |
| Source |
ex ACHILLEA ERIOPHORA ex PETER WEYERSTAHL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000274 |
