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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 IrCQtt6yAMR
Name Hexanoic acid
CAS Registry Number 142-62-1
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
Molecular Weight 116.160 g/mol
SMILES OC(=O)CCCCC
SPLASH splash10-03dl-9000000000-671ac7c05999781cea28
Source of Spectrum PR-1348-0-0
Synonyms 1-Hexanoic acid 1-Pentanecarboxylic acid Butylacetic acid Capronic acid CH3(CH2)4COOH Hexacid 698 Hexanoate Hexoic acid Hexylic acid Kyselina kapronova n-Caproic acid n-Hexanoic acid n-Hexoic acid n-Hexylic acid Pentane-1-carboxylic acid Pentanecarboxylic acid Pentiformic acid Pentylformic acid Caproic acid AI3-07701 BRN 0773837 CCRIS 1347 EINECS 205-550-7 FEMA NO. 2559 HSDB 6813 NSC 8266 UN2829
Wiley ID 1125429