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1-Butyl-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID GYD4ICCXv9E
InChI InChI=1S/C12H18O2/c1-3-4-8-12(11(13)14-2)9-6-5-7-10-12/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey HKNYDDUGJUQAJR-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0083QIJM41
Name 1-Butyl-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 103669-31-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-3-4-8-12(11(13)14-2)9-6-5-7-10-12/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey HKNYDDUGJUQAJR-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