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Caproic acid

View entire compound with spectra: 47 NMR, 22 FTIR, 2 Raman, 30 MS (GC), and 2 Near IR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2nReKitrMT
Name HEXANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author Z.LIU,A.GRANATA,X.SHEN,A.S.PERLIN
Literature Reference Citation CAN.J.CHEM.,70,2081(1992)
Literature Reference DOI 10.1139/v92-264
Molecular Weight 116.160 g/mol
Solvent CDCl3
Source File Reference UWVP584