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(Z)-3-(1,3-Benzothiazol-2-ylthio)-pent-2-enedioic acid, dimethyl ester
SpectraBase Compound ID 48IgIRlpS90
InChI InChI=1S/C14H13NO4S2/c1-18-12(16)7-9(8-13(17)19-2)20-14-15-10-5-3-4-6-11(10)21-14/h3-7H,8H2,1-2H3/b9-7-
InChIKey ZYVIPCBQODDMAJ-CLFYSBASSA-N
Mol Weight 323.38 g/mol
Molecular Formula C14H13NO4S2
Exact Mass 323.0286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HubWcNHfEX5
Name (Z)-3-(1,3-Benzothiazol-2-ylthio)-pent-2-enedioic acid, dimethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H13NO4S2
InChI InChI=1S/C14H13NO4S2/c1-18-12(16)7-9(8-13(17)19-2)20-14-15-10-5-3-4-6-11(10)21-14/h3-7H,8H2,1-2H3/b9-7-
InChIKey ZYVIPCBQODDMAJ-CLFYSBASSA-N
Instrument Name Varian CFT-20
Literature Reference G.J. Doad, D.I. Okor, F. Scheinmann, J. Chem. Soc. Perkin I 2993 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3