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2-Thia-bicyclo(2.2.1)hept-5-ene-3,3-dicarboxylic acid, diethyl ester
SpectraBase Compound ID IruZAbWtzy3
InChI InChI=1S/C12H16O4S/c1-3-15-10(13)12(11(14)16-4-2)8-5-6-9(7-8)17-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey RPTOOANWRASWRE-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZg7hgt0nUn
Name 2-Thia-bicyclo(2.2.1)hept-5-ene-3,3-dicarboxylic acid, diethyl ester
Comments 50.3 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-3-15-10(13)12(11(14)16-4-2)8-5-6-9(7-8)17-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey RPTOOANWRASWRE-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference G.W. Kirby, W.M. McGregor, J. Chem. Soc. Perkin I 3175 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3