| SpectraBase Spectrum ID |
5UhA3TmY4rA |
| Name |
Dehydroabietic acid |
| CAS Registry Number |
1740-19-8 |
| 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 |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
| InChIKey |
NFWKVWVWBFBAOV-MISYRCLQSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
300.442 g/mol |
| Nominal Mass |
300 u |
| Quality |
956 |
| Retention Index |
2288 |
| SMILES |
OC([C@]1([C@]2([C@@](C3=C(CC2)C=C(C=C3)C(C)C)(CCC1)C)[H])C)=O |
| SPLASH |
splash10-000i-2591000000-cdd81f1bf32ccc93e2e4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,4aS,10aS)-1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic\r acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000852 |
