| SpectraBase Spectrum ID |
JJeVeFrZAGW |
| Name |
Methyl dehydroabietate |
| CAS Registry Number |
1235-74-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3 |
| InChIKey |
PGZCJOPTDHWYES-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.469 g/mol |
| Nominal Mass |
314 u |
| Quality |
905 |
| Retention Index |
2350 |
| SMILES |
C12C(C=3C(CC2)=CC(=CC3)C(C)C)(CCCC1(C(OC)=O)C)C |
| SPLASH |
splash10-000l-7960000000-e0589b79ae3d1669a0aa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025368 |
