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Isobutyric acid
SpectraBase Compound ID LMcJonduA4
InChI InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N
Mol Weight 88.11 g/mol
Molecular Formula C4H8O2
Exact Mass 88.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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