| SpectraBase Spectrum ID |
Do8gzUcm0Zc |
| Name |
Valerenic acid |
| Classification |
Sesquiterpenoid |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+ |
| InChIKey |
FEBNTWHYQKGEIQ-DHZHZOJOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Quality |
919 |
| Retention Index |
1850 |
| SMILES |
OC(\C(=C\C1C=2C(C(CC1)C)CCC2C)C)=O |
| SPLASH |
splash10-0bwc-6910000000-bc44702467dc4277c6a6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-(e)-2-methylacrylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023997 |
