| SpectraBase Spectrum ID |
14PEOyt1C5o |
| Name |
Cembrene A<3E-> |
| CAS Registry Number |
31570-39-5 |
| 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 |
272.250401030 u |
| Formula |
C20H32 |
| 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/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8-,18-12-,19-11+/t20-/m0/s1 |
| InChIKey |
VWSPQDDPRITBAM-YSWQFPNGSA-N |
| Molecular Weight |
272.476 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
137 |
| SMILES |
C1\C(=C/CC\C(=C/C[C@@](CC\C(=C\C1)C)(C(=C)C)[H])C)C |
| SPLASH |
splash10-014l-9710000000-337cde7ea093d119832e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000318 |
