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Caproic acid
SpectraBase Compound ID 3JrFFcFwgRv
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey FUZZWVXGSFPDMH-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 ATwTmroPcHc
Name n-hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey FUZZWVXGSFPDMH-UHFFFAOYSA-N
Instrument Name Agilent 6890 GC-5975 MS
Ionization Type EI
Literature Reference DOI 10.1021/np100640f
Molecular Weight 116.160 g/mol
SMILES OC(CCCCC)=O
SPLASH splash10-03dl-9000000000-939ab41ff07b7e2e58eb
Source of Spectrum G4-74-627-627-6
Wiley ID 1849083