| SpectraBase Spectrum ID |
NDPeScBgnV |
| Name |
Humulene |
| CAS Registry Number |
116-04-1 |
| 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 |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10+ |
| InChIKey |
HAVYZKHVTLAPDZ-PPGMXFKZSA-N |
| Molecular Weight |
204.357 g/mol |
| Number of Peaks |
50 |
| RI1 |
1440 |
| SMILES |
CC1(\C=C\CC(CCC\C(=C\C1)C)=C)C |
| SPLASH |
splash10-001l-9400000000-60e28a6814107940d413 |
| 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-Cycloundecadiene, 1,4,4-trimethyl-8-methylene- |
| Wiley ID |
LM_FFNSC3_2174 |
