| SpectraBase Spectrum ID |
8dIQqNelEF7 |
| Name |
Caryophyllene |
| CAS Registry Number |
118-65-0 |
| 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/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m0/s1 |
| InChIKey |
NPNUFJAVOOONJE-BJLYVFBQSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
105 |
| SMILES |
C1\C(=C/CCC([C@]2([C@](C1)(C(C2)(C)C)[H])[H])=C)C |
| SPLASH |
splash10-0006-9300000000-af1b91eac596e3abd60c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000284 |
