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4-METHYL-ALPHA-1,3-DITHIOLE-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
SpectraBase Compound ID B3ORUr4rlX
InChI InChI=1S/2C13H9NOS2/c2*1-9-8-16-13(17-9)11(7-14)12(15)10-5-3-2-4-6-10/h2*2-6,8H,1H3/b2*13-11+
InChIKey LEOGODYYAZPRQO-YRMFLQSYSA-N
Mol Weight 518.68 g/mol
Molecular Formula C26H18N2O2S4
Exact Mass 518.025113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IYxQe2holv
Name 4-METHYL-ALPHA-1,3-DITHIOLE-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18N2O2S4
InChI InChI=1S/2C13H9NOS2/c2*1-9-8-16-13(17-9)11(7-14)12(15)10-5-3-2-4-6-10/h2*2-6,8H,1H3/b2*13-11+
InChIKey LEOGODYYAZPRQO-YRMFLQSYSA-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 518.681 g/mol
Solvent CDCl3
Source File Reference UWVN21701