| SpectraBase Compound ID | 1dZWtIBe4ZG |
|---|---|
| InChI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChIKey | USDOQCCMRDNVAH-KKUMJFAQSA-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 | 8I8eOu3vgau |
|---|---|
| Name | beta-Cadinene |
| CAS Registry Number | 523-47-7 |
| Classification | Fragrance |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 204.187800773 u |
| Formula | C15H24 |
| InChI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChIKey | USDOQCCMRDNVAH-KKUMJFAQSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 204.357 g/mol |
| Nominal Mass | 204 u |
| Quality | 991 |
| Retention Index | 1596 |
| SMILES | [C@@]12([C@]([C@@](CC=C2C)(C(C)C)[H])(CC(=CC1)C)[H])[H] |
| SPLASH | splash10-03yl-4910000000-971dc383cc20ec4a285c |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | (1S,4aR,8aS)-1,2,4a,5,8,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene (1S,4aR,8aS)-4,7-Dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene |
| Technique | GC/MS |
| Wiley ID | DD2024_008261 |