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(1S*,2R*,7R*)-7-Methylthio-bicyclo(4.1.0)hept-2-ene-7-carboxylic acid
SpectraBase Compound ID HW1FWzRle8I
InChI InChI=1S/C9H12O2S/c1-12-9(8(10)11)6-4-2-3-5-7(6)9/h2,4,6-7H,3,5H2,1H3,(H,10,11)
InChIKey LRRLGRJQWWGJHK-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1srMC7ztlZ8
Name (1S*,2R*,7R*)-7-Methylthio-bicyclo(4.1.0)hept-2-ene-7-carboxylic acid
Comments 50.3 MHZ SPECTRUM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-12-9(8(10)11)6-4-2-3-5-7(6)9/h2,4,6-7H,3,5H2,1H3,(H,10,11)
InChIKey LRRLGRJQWWGJHK-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