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DQNLJWUKXWTEAR-KHPPLWFESA-N
SpectraBase Compound ID 8lOlHI2146H
InChI InChI=1S/C12H11NO3S/c1-7(14)10(12(15)16-2)11-13-8-5-3-4-6-9(8)17-11/h3-6,13H,1-2H3/b11-10-
InChIKey DQNLJWUKXWTEAR-KHPPLWFESA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXjv8sJPPYV
Name 2-(3H)-[(Z)-ACETYL-(METHOXYCARBONYL)-METHYLENE]-BENZOTHIAZOLE
CAS Registry Number 123150-22-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c1-7(14)10(12(15)16-2)11-13-8-5-3-4-6-9(8)17-11/h3-6,13H,1-2H3/b11-10-
InChIKey DQNLJWUKXWTEAR-KHPPLWFESA-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 249.284 g/mol
Solvent CDCl3
Source File Reference UWED10589