| SpectraBase Spectrum ID |
73leL4iI9Gq |
| Name |
Cembrene A <3Z-> |
| CAS Registry Number |
71213-92-8 |
| 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/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12-,19-11+ |
| InChIKey |
VWSPQDDPRITBAM-IOBQTAGVSA-N |
| Molecular Weight |
272.476 g/mol |
| Number of Peaks |
50 |
| RI1 |
1967 |
| SMILES |
C(C1C\C=C/(CC\C=C\(CC\C=C\(CC1)C)C)C)(=C)C |
| SPLASH |
splash10-066u-9600000000-6784f99c23c3a962e64b |
| 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 |
1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)- |
| Wiley ID |
LM_FFNSC3_2495 |
