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2-Benzyl-3,6-dihydro-4,5-dimethyl-2H-thiine-2-carboxylic acid, ethyl ester
SpectraBase Compound ID K5sYpi9R6XB
InChI InChI=1S/C17H22O2S/c1-4-19-16(18)17(10-13(2)14(3)12-20-17)11-15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3
InChIKey LXJKRRJKSRNTJQ-UHFFFAOYSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51VNwDAvXR1
Name 2-Benzyl-3,6-dihydro-4,5-dimethyl-2H-thiine-2-carboxylic acid, ethyl ester
Comments 50.3 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-4-19-16(18)17(10-13(2)14(3)12-20-17)11-15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3
InChIKey LXJKRRJKSRNTJQ-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