| SpectraBase Spectrum ID |
1dK1twqLveN |
| Name |
Cembrene |
| CAS Registry Number |
1898-13-1 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10-,19-11-/t20-/m0/s1 |
| InChIKey |
DMHADBQKVWXPPM-ZTAOLZRRSA-N |
| Molecular Weight |
272.476 g/mol |
| SMILES |
C(C)(C)[C@@]1(CC\C(C)=C/CC\C(=C/C\C=C/(\C=C/1)C)C)[H] |
| SPLASH |
splash10-052f-8910000000-1338db5599742060878a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887243 |
