![CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A](/api/spectrum/DaXXVG7GMO8/structure.png?h=300&w=458 "CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A")
| SpectraBase Compound ID | 4DpQUBkCqef |
|---|---|
| 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-/m1/s1 |
| InChIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
| Mol Weight | 204.36 g/mol |
| Molecular Formula | C15H24 |
| Exact Mass | 204.187801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DaXXVG7GMO8 |
|---|---|
| Name | (Z)-Caryophyllene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24 |
| 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-/m1/s1 |
| InChIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
| Instrument Name | Perkin Clarus 680-SQ8S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202000575 |
| Molecular Weight | 204.357 g/mol |
| SMILES | [C@@]12([C@](C(C2)(C)C)(CC\C(=C/CCC1=C)C)[H])[H] |
| SPLASH | splash10-0006-9500000000-07e5688d737aeb6f231f |
| Source of Spectrum | CBD-17-SM8-3 |
| Wiley ID | 1855936 |