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1-Propyl-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID 8PrLmbPJHOy
InChI InChI=1S/C11H16O2/c1-3-7-11(10(12)13-2)8-5-4-6-9-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey VTMHXCPANBMKET-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rHLIRmwbZz
Name 1-Propyl-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 103669-23-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-3-7-11(10(12)13-2)8-5-4-6-9-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey VTMHXCPANBMKET-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