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ALPHA-1,3-DITHIOLAN-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
SpectraBase Compound ID 9PkqetCY3Xx
InChI InChI=1S/C12H9NOS2/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey LQUWOBOEBIMLML-UHFFFAOYSA-N
Mol Weight 247.33 g/mol
Molecular Formula C12H9NOS2
Exact Mass 247.012556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8N0W6ORUkg7
Name ALPHA-1,3-DITHIOLAN-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9NOS2
InChI InChI=1S/C12H9NOS2/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey LQUWOBOEBIMLML-UHFFFAOYSA-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 247.330 g/mol
Solvent CDCl3
Source File Reference UWVN21712