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2-Methyl-butyric acid, methyl ester
SpectraBase Compound ID L5fgagH78mj
InChI InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EraPnVQZSTQ
Name Anteisovalerate
CAS Registry Number 868-57-5
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N
Number of Peaks 49
RI2 627
RI4 772
SMILES C(C(CC)C)(=O)OC
SPLASH splash10-0a4r-9000000000-ff672ea7e4114dc52fd7
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanoic acid, 2-methyl-, methyl ester Me. C5:0 anteiso
Wiley ID LM_LIPIDS2016_145