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2-(3H)-[(E)-CYANO-(METHOXYCARBONYL)-METHYLENE]-BENZOTHIAZOLE
SpectraBase Compound ID Fq7SdknOIuc
InChI InChI=1S/C11H8N2O2S/c1-15-11(14)7(6-12)10-13-8-4-2-3-5-9(8)16-10/h2-5,13H,1H3/b10-7-
InChIKey SEIUOPPGQAMYGB-YFHOEESVSA-N
Mol Weight 232.26 g/mol
Molecular Formula C11H8N2O2S
Exact Mass 232.030649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Stw2WLeZjM
Name 2-(3H)-[(E)-CYANO-(METHOXYCARBONYL)-METHYLENE]-BENZOTHIAZOLE
CAS Registry Number 123150-24-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8N2O2S
InChI InChI=1S/C11H8N2O2S/c1-15-11(14)7(6-12)10-13-8-4-2-3-5-9(8)16-10/h2-5,13H,1H3/b10-7-
InChIKey SEIUOPPGQAMYGB-YFHOEESVSA-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 232.257 g/mol
Solvent DMSO-D6
Source File Reference UWED10593