| SpectraBase Spectrum ID |
GUpHn4cWxxg |
| Name |
Propanoic acid,2-methyl |
| CAS Registry Number |
79-31-2 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
88.052429496 u |
| Formula |
C4H8O2 |
| InChI |
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey |
KQNPFQTWMSNSAP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
88.106 g/mol |
| Nominal Mass |
88 u |
| Quality |
985 |
| Retention Index |
590 |
| SMILES |
OC(C(C)C)=O |
| SPLASH |
splash10-0006-9000000000-25a92d15b96cd3f6b456 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylpropanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034965 |
