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2-(3H)-[(E)-CYANO-(ETHOXYCARBONYL)-METHYLENE]-BENZOTHIAZOLE
SpectraBase Compound ID 5YauPhZi584
InChI InChI=1S/C12H10N2O2S/c1-2-16-12(15)8(7-13)11-14-9-5-3-4-6-10(9)17-11/h3-6,14H,2H2,1H3/b11-8-
InChIKey GUADRVGYRODSBA-FLIBITNWSA-N
Mol Weight 246.28 g/mol
Molecular Formula C12H10N2O2S
Exact Mass 246.046299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aiaza4pIYbl
Name 2-(3H)-[(E)-CYANO-(ETHOXYCARBONYL)-METHYLENE]-BENZOTHIAZOLE
CAS Registry Number 123150-25-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N2O2S
InChI InChI=1S/C12H10N2O2S/c1-2-16-12(15)8(7-13)11-14-9-5-3-4-6-10(9)17-11/h3-6,14H,2H2,1H3/b11-8-
InChIKey GUADRVGYRODSBA-FLIBITNWSA-N
Literature Reference Author Z.T.HUANG,X.SHI
Literature Reference Citation CHEM.BER.,123,541(1990)
Literature Reference DOI 10.1002/cber.19901230321
Molecular Weight 246.284 g/mol
Solvent DMSO-D6
Source File Reference UWED10594