| SpectraBase Spectrum ID |
8G80gxJ9z4C |
| Name |
alpha-Thujone |
| CAS Registry Number |
546-80-5 |
| Classification |
Fragrance |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
152.120115134 u |
| Formula |
C10H16O |
| InChI |
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 |
| InChIKey |
USMNOWBWPHYOEA-MRTMQBJTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Quality |
996 |
| Retention Index |
1178 |
| SMILES |
[C@]12([C@](C2)([C@](C(C1)=O)(C)[H])[H])C(C)C |
| SPLASH |
splash10-0159-9200000000-dee1dfd43c266e90d8d1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,4R,5R)-4-Methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007440 |
