| SpectraBase Spectrum ID |
HuNBeE8rLzk |
| Name |
Neocembrene |
| 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 |
| 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-KPGNMOGWSA-N |
| Molecular Weight |
272.476 g/mol |
| Number of Peaks |
50 |
| RI1 |
1960 |
| RI2 |
1635 |
| SMILES |
C\C1=C/C[C@@](CC\C(=C\CC\C(=C\CC1)C)C)(C(C)=C)[H] |
| SPLASH |
splash10-014l-9500000000-04306980c85e5e526d31 |
| 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)-, (1E,5E,9E,12R)- |
| Wiley ID |
LM_FFNSC3_1803 |
