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1-(3-Oxo-propyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester

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1-(3-Oxo-propyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID ACR26An6mqP
InChI InChI=1S/C11H14O3/c1-14-10(13)11(8-5-9-12)6-3-2-4-7-11/h3-4,6-7,9H,2,5,8H2,1H3
InChIKey CWDOXBOJDVORCU-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Wn4ugtAR6J
Name 1-(3-Oxo-propyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 103669-19-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-14-10(13)11(8-5-9-12)6-3-2-4-7-11/h3-4,6-7,9H,2,5,8H2,1H3
InChIKey CWDOXBOJDVORCU-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference A.L. Beckwith, D.H. Roberts, J. Am. Chem. Soc. 108, 5893 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3