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Valeric acid methyl ester
SpectraBase Compound ID Lo3hagunXkW
InChI InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
InChIKey HNBDRPTVWVGKBR-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 L434uoTXyaW
Name Valerianate
CAS Registry Number 624-24-8
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
InChIKey HNBDRPTVWVGKBR-UHFFFAOYSA-N
Number of Peaks 50
RI1 833
RI2 500
RI4 844
RI5 475
SMILES C(CCCC)(=O)OC
SPLASH splash10-05g0-9000000000-3dfd1aab1a0e2d939b14
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Pentanoic acid, methyl ester Me. C5:0
Wiley ID LM_LIPIDS2016_73