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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 4YpT6eo0pHy
Name Isobutyric acid
Source of Sample SAFC Cat. #W222216
CAS Registry Number 79-31-2
Classification Preservative
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H8O2
InChI InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N
Number of Peaks 23
RI1 774
SMILES CC(C(=O)O)C
SPLASH splash10-0006-9000000000-660f3da639795003aeb7
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Propanoic acid, 2-methyl-
Wiley ID LM_PEST_1229