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ALPHA-1,3-OXATHIOLANE-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
SpectraBase Compound ID J0ZHQoJpkkS
InChI InChI=1S/C12H9NO2S/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2/b12-10+
InChIKey IVORRERGHUSTFB-ZRDIBKRKSA-N
Mol Weight 231.27 g/mol
Molecular Formula C12H9NO2S
Exact Mass 231.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98EZEayJ1Mh
Name ALPHA-1,3-OXATHIOLANE-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9NO2S
InChI InChI=1S/C12H9NO2S/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2/b12-10+
InChIKey IVORRERGHUSTFB-ZRDIBKRKSA-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 231.269 g/mol
Solvent CDCl3
Source File Reference UWVN21707