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4-Oxo-6-phenyl-hex-5-ynoic acid
SpectraBase Compound ID JMssUBMxJ7e
InChI InChI=1S/C12H10O3/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,14,15)
InChIKey VRUVCRQSUNRWAO-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C12H10O3
Exact Mass 202.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdHDnZ1DaQz
Name 4-Oxo-6-phenyl-hex-5-ynoic acid
CAS Registry Number 14901-29-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10O3
InChI InChI=1S/C12H10O3/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,14,15)
InChIKey VRUVCRQSUNRWAO-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S.E. Drewes, D. Douglass, D.G. Malissar, J. Chem. Soc. Perkin I 1507 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3