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2-Methylvaleric acid

View entire compound with spectra: 16 NMR, 11 FTIR, 2 Raman, 13 MS (GC), and 2 Near IR

2-Methylvaleric acid
SpectraBase Compound ID 9Z2KfaPXdYd
InChI InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OVBFMEVBMNZIBR-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 F2xzKgCPt8K
Name 2-METHYLVALERIANSAEURE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OVBFMEVBMNZIBR-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 UNIW271