| SpectraBase Spectrum ID |
7CO1tTgbCHS |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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-/m0/s1 |
| InChIKey |
YMBFCQPIMVLNIU-KKUMJFAQSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
120 |
| SMILES |
[C@@]12(CC=C([C@@]([C@]2(CCC=C(C)C)C)(C1)[H])C)[H] |
| SPLASH |
splash10-00kf-9400000000-a08d5963e4ac04e8f43a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000160 |
