| SpectraBase Spectrum ID |
9U1hw6aDd5w |
| Name |
Bergamotene |
| Source of Sample |
SAFC Cat.no. W522600 |
| CAS Registry Number |
15438-94-5 |
| 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 |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1 |
| InChIKey |
DGZBGCMPRYFWFF-SOUVJXGZSA-N |
| Molecular Weight |
204.357 g/mol |
| Number of Peaks |
50 |
| RI1 |
1483 |
| RI2 |
1161 |
| SMILES |
[C@@]1([C@]2(CCC([C@@]1(C2)[H])=C)[H])(CCC=C(C)C)C |
| SPLASH |
splash10-00kf-9200000000-e1866fae57867a8ec56e |
| 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 |
Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, (1S,5S,6R)- |
| Wiley ID |
LM_FFNSC3_1685 |
