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3-Cyclohexene-1-carboxylic acid methyl ester
SpectraBase Compound ID GNqbEZOBF2Z
InChI InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChIKey IPUNVLFESXFVFH-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a8ZV5mGHsE
Name 3-Cyclohexene-1-carboxylic acid, methyl ester
CAS Registry Number 6493-77-2
Comments 3- AND 4-DEUTERATED COMPOUNDS INVESTIGATED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChIKey IPUNVLFESXFVFH-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference X. Creary, A.J. Rollin, J. Org. Chem. 42, 4231 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3