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VRDFHUXAGPHXNX-UHFFFAOYSA-N

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VRDFHUXAGPHXNX-UHFFFAOYSA-N
SpectraBase Compound ID DMb5a8Ewmrq
InChI InChI=1S/C12H11NO2S/c1-7(14)11(8(2)15)12-13-9-5-3-4-6-10(9)16-12/h3-6,13H,1-2H3
InChIKey VRDFHUXAGPHXNX-UHFFFAOYSA-N
Mol Weight 233.28 g/mol
Molecular Formula C12H11NO2S
Exact Mass 233.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiMtAoNvEZH
Name 2-(3H)-(DIACETYLMETHYLENE)-BENZOTHIAZOLE
CAS Registry Number 123150-21-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11NO2S
InChI InChI=1S/C12H11NO2S/c1-7(14)11(8(2)15)12-13-9-5-3-4-6-10(9)16-12/h3-6,13H,1-2H3
InChIKey VRDFHUXAGPHXNX-UHFFFAOYSA-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 233.285 g/mol
Solvent DMSO-D6
Source File Reference UWED10588