| SpectraBase Spectrum ID |
HM5bTEClb77 |
| Name |
Valproic acid ME |
| CAS Registry Number |
22632-59-3 |
| Classification |
Pharmaceutical drug, anticonvulsant |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-4-6-8(7-5-2)9(10)11-3/h8H,4-7H2,1-3H3 |
| InChIKey |
WPRYUWYMOZQHIY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Quality |
992 |
| Retention Index |
1090 |
| SMILES |
C(C(OC)=O)(CCC)CCC |
| SPLASH |
splash10-00kr-9300000000-4820f4c67dd062eb1b9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-propylpentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002427 |
