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Methyl hexanoate
SpectraBase Compound ID BNGYVwPw12C
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxvBLynarjw
Name Caproate
CAS Registry Number 106-70-7
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
Number of Peaks 50
RI1 909
RI2 600
RI4 920
RI5 600
SMILES C(CCCCC)(=O)OC
SPLASH splash10-00dl-9000000000-8ebab715c0228c167204
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Hexanoic acid, methyl ester Me. C6:0
Wiley ID LM_LIPIDS2016_36