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(1S*,2R*,7R*)-7-Methylthio-bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, ethyl ester
SpectraBase Compound ID 12PIXen78fU
InChI InChI=1S/C11H16O2S/c1-3-13-10(12)11(14-2)8-6-4-5-7-9(8)11/h4,6,8-9H,3,5,7H2,1-2H3
InChIKey NFCDOHXKQSVKAB-UHFFFAOYSA-N
Mol Weight 212.31 g/mol
Molecular Formula C11H16O2S
Exact Mass 212.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRlzsZPZiYK
Name (1S*,2R*,7R*)-7-Methylthio-bicyclo(4.1.0)hept-2-ene-7-carboxylic acid, ethyl ester
Comments 50.3 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16O2S
InChI InChI=1S/C11H16O2S/c1-3-13-10(12)11(14-2)8-6-4-5-7-9(8)11/h4,6,8-9H,3,5,7H2,1-2H3
InChIKey NFCDOHXKQSVKAB-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference G.W. Kirby, M.P. Mahajan, M.S.Rahman, J. Chem. Soc. Perkin I 2033 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3