SpectraBase Spectrum ID |
5YsQugxjYQa |
Name |
beta-Cadinene |
CAS Registry Number |
523-47-7 |
Classification |
Fragrance |
Comments |
Spectrum verified by independent measurements in external laboratories |
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 |
845 |
Retention Index |
1596 |
SMILES |
[C@@]12([C@]([C@@](CC=C2C)(C(C)C)[H])(CC(=CC1)C)[H])[H] |
SPLASH |
splash10-0nnl-3910000000-6367156e9fdfd8472ca8 |
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_017094 |