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XJIDWNHSYXQCDM-YFHOEESVSA-N
SpectraBase Compound ID LQkCOjk3pBw
InChI InChI=1S/C10H7NO2S2/c11-6-7(10-13-3-5-15-10)9(12)8-2-1-4-14-8/h1-2,4H,3,5H2/b10-7-
InChIKey XJIDWNHSYXQCDM-YFHOEESVSA-N
Mol Weight 237.29 g/mol
Molecular Formula C10H7NO2S2
Exact Mass 236.991821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DtwIZKBNJj
Name ALPHA-1,3-OXATHIOLANE-2-YLIDENE-BETA-OXO-2-THIOPHENE-PROPANENITRILE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7NO2S2
InChI InChI=1S/C10H7NO2S2/c11-6-7(10-13-3-5-15-10)9(12)8-2-1-4-14-8/h1-2,4H,3,5H2/b10-7-
InChIKey XJIDWNHSYXQCDM-YFHOEESVSA-N
Literature Reference Author E.KLEINPETER,S.KLOD,W.D.RUDORF
Literature Reference Citation J.ORG.CHEM.,69,4317(2004)
Literature Reference DOI 10.1021/jo0496345
Molecular Weight 237.291 g/mol
Solvent CDCl3
Source File Reference UWVN21706