| SpectraBase Spectrum ID |
2lvkPD7A5g0 |
| Name |
Valerenal |
| CAS Registry Number |
4176-16-3 |
| Classification |
Sesquiterpene |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+ |
| InChIKey |
RJZWGDPBGWGJNU-CSKARUKUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Quality |
613 |
| Retention Index |
1717 |
| SMILES |
C12C(C(CCC2C)\C=C\(C=O)C)=C(CC1)C |
| SPLASH |
splash10-0kbp-2910000000-e11dcfa79f6cb20729b6 |
| 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-methylacrylaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023996 |
