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1-Propyl-3-methoxy-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID CLTmHYcNeOu
InChI InChI=1S/C12H18O3/c1-4-7-12(11(13)15-3)8-5-6-10(9-12)14-2/h5,8-9H,4,6-7H2,1-3H3
InChIKey SHGKRGDXUKIGGU-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxnbBzF8ETT
Name 1-Propyl-3-methoxy-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 103669-28-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-7-12(11(13)15-3)8-5-6-10(9-12)14-2/h5,8-9H,4,6-7H2,1-3H3
InChIKey SHGKRGDXUKIGGU-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