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1-Butyl-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
SpectraBase Compound ID 1W9nmNORX4O
InChI InChI=1S/C12H16O3/c1-3-4-7-12(11(14)15-2)8-5-10(13)6-9-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey UWFSWLASNABKAF-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJ1gr7gfMDr
Name 1-Butyl-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
CAS Registry Number 103669-32-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-7-12(11(14)15-2)8-5-10(13)6-9-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey UWFSWLASNABKAF-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