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Methylbutyrate
SpectraBase Compound ID 6mr44CNbBix
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey UUIQMZJEGPQKFD-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhgrGVftah7
Name Butyrate
CAS Registry Number 623-42-7
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10O2
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey UUIQMZJEGPQKFD-UHFFFAOYSA-N
Number of Peaks 35
RI1 706
RI2 400
RI4 717
RI5 400
SMILES C(CCC)(=O)OC
SPLASH splash10-00dl-9000000000-c25c3af97abb11957942
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanoic acid, methyl ester Me. C4:0
Wiley ID LM_LIPIDS2016_35