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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 BL3eD6KDclh
Name Hexanoic acid
CAS Registry Number 142-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey FUZZWVXGSFPDMH-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES OC(CCCCC)=O
SPLASH splash10-03di-9000000000-2043af2946c9f7f6d0df
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887469