| SpectraBase Compound ID | 3oE6DARMTX0 |
|---|---|
| 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 |
| 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 | EXxVnjL7D8i |
|---|---|
| Name | Isocaryophyllene |
| 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-/m0/s1 |
| InChIKey | NPNUFJAVOOONJE-BJLYVFBQSA-N |
| Ionization Type | EI |
| Molecular Weight | 204.357 g/mol |
| SMILES | [C@@]12([C@](CC\C(=C/CCC2=C)C)(C(C1)(C)C)[H])[H] |
| SPLASH | splash10-0006-9700000000-37eb1afc2a900e7c6192 |
| Source of Spectrum | EP3454944A1 |
| Wiley ID | 1872765 |