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6-Heptenoic acid, 3-oxo-, methyl ester
SpectraBase Compound ID 9pyRzPeeSlY
InChI InChI=1S/C8H12O3/c1-3-4-5-7(9)6-8(10)11-2/h3H,1,4-6H2,2H3
InChIKey HQLSDJWYINRSAP-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuEXKwepshb
Name 3-Oxo-6-heptenoic acid, methyl ester
CAS Registry Number 30414-57-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-3-4-5-7(9)6-8(10)11-2/h3H,1,4-6H2,2H3
InChIKey HQLSDJWYINRSAP-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference D.F. Taber, P.B. Deker, M.D.Gaul, J. Am. Chem. Soc. 109, 7488 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3