SpectraBase Spectrum ID |
DkhTRd49taK |
Name |
Isobutyric acid |
CAS Registry Number |
79-31-2 |
Classification |
Floral compound |
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 |
974 |
Retention Index |
590 |
SMILES |
OC(C(C)C)=O |
SPLASH |
splash10-0006-9000000000-6b006e0a8a9dcd42b822 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Isobutanoic acid
2-Methylpropanoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_011619 |