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1,1-DICYANO-4,4-BIS-(METHYLTHIO)-2-(4-NITROPHENYL)-1,3-BUTADIEN

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1,1-DICYANO-4,4-BIS-(METHYLTHIO)-2-(4-NITROPHENYL)-1,3-BUTADIEN
SpectraBase Compound ID AFl8riENTBh
InChI InChI=1S/C14H11N3O2S2/c1-20-14(21-2)7-13(11(8-15)9-16)10-3-5-12(6-4-10)17(18)19/h3-7H,1-2H3
InChIKey YNBLEAPSCQZAPI-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jrRc4xHruC
Name 2-Cyano-3-(4-nitro-phenyl)-5,5-bis(methylthio)-2,4-pentadiene-1-nitrile
CAS Registry Number 89482-71-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H11N3O2S2
InChI InChI=1S/C14H11N3O2S2/c1-20-14(21-2)7-13(11(8-15)9-16)10-3-5-12(6-4-10)17(18)19/h3-7H,1-2H3
InChIKey YNBLEAPSCQZAPI-UHFFFAOYSA-N
Instrument Name Tesla BS477
Literature Reference M. Michalik, K. Peseke, R. Radeglia, J. Prakt. Chem. 327, 103 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3