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Methyl 3-methylbutanoate
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

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrWqAe1Cz3w
Name 3-METHYLBUTANOIC-ACID,METHYLESTER;METHYLISOVALERATE
CAS Registry Number 556-24-1
Copyright Copyright © 2016-2024 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 C.DELSETH,T.T.T.NGUYEN,J.P.KINTZINGER
Literature Reference Citation HELV.CHIM.ACTA,63,498(1980)
Literature Reference DOI 10.1002/hlca.19800630222
Solvent NEAT
Source File Reference UNIO131