| SpectraBase Spectrum ID |
4HVeidAToIF |
| Name |
Cembrene |
| CAS Registry Number |
1898-13-1 |
| 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 |
| 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+ |
| InChIKey |
DMHADBQKVWXPPM-KKXGDROXSA-N |
| Molecular Weight |
272.476 g/mol |
| Number of Peaks |
50 |
| RI1 |
1939 |
| SMILES |
CC(C)C1CC\C(C)=C\CC\C(C)=C\C\C=C/(C)\C=C/1 |
| SPLASH |
splash10-052f-8910000000-d99f5b52d19e216c3317 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_2657 |
