| SpectraBase Spectrum ID |
5XJOTIxY1gm |
| Name |
Valproic acid |
| CAS Registry Number |
99-66-1 |
| Classification |
Pharmaceutical drug, anticonvulsant |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey |
NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Quality |
990 |
| Retention Index |
1028 |
| SMILES |
C(C(O)=O)(CCC)CCC |
| SPLASH |
splash10-0fk9-9200000000-627c04febb670a111a20 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Propylpentanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022710 |
