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5-METHYL-2E-HEXENOIC-ACID
SpectraBase Compound ID ESzBHkoQWi8
InChI InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h3,5-6H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKey FTHUQCQZQRXJLF-HWKANZROSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1DmbjQPdgD
Name 5-METHYL-2E-HEXENOIC-ACID
Compound Number XIV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h3,5-6H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKey FTHUQCQZQRXJLF-HWKANZROSA-N
Literature Reference Author A.BARABAS,A.A.BOTAR,A.GOCAN,N.POPOVICI,F.HODOSAN
Literature Reference Citation TETRAHEDRON,34,2191(1978)
Literature Reference DOI 10.1016/0040-4020(78)89025-5
Molecular Weight 128.171 g/mol
Solvent D2O
Source File Reference UWPA1461