| SpectraBase Spectrum ID |
EbVMLEwfGIE |
| Name |
Bergamotene |
| CAS Registry Number |
18252-46-5 |
| 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/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m1/s1 |
| InChIKey |
YMBFCQPIMVLNIU-RBSFLKMASA-N |
| Molecular Weight |
204.357 g/mol |
| Number of Peaks |
50 |
| RI1 |
1416 |
| RI2 |
1095 |
| SMILES |
CC(=CCC[C@@]1([C@@]2(CC=C([C@]1(C2)[H])C)[H])C)C |
| SPLASH |
splash10-00kf-9500000000-61190360aad299fb4eaf |
| 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]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-, (1R,5R,6R)- |
| Wiley ID |
LM_FFNSC3_1205 |
