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Isovaleric acid methyl ester

View entire compound with spectra: 17 NMR, 10 FTIR, 1 Raman, 24 MS (GC), and 4 Near IR

Isovaleric acid methyl ester
SpectraBase Compound ID 82YX1FeP3fm
InChI InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey OQAGVSWESNCJJT-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 BGkXDeRBW24
Name ISOVALERIANSAEUREMETHYLESTER
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey OQAGVSWESNCJJT-UHFFFAOYSA-N
Literature Reference Author P.A.COUPERUS,A.D.H.CLAGUE,J.P.C.M.VANDONGEN
Literature Reference Citation ORG.MAGN.RES.,11,590(1978)
Literature Reference DOI 10.1002/mrc.1270111203
Molecular Weight 116.160 g/mol
Solvent CDCl3
Source File Reference UNIW251