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2-CYANO-5,5-BIS-(METHYLTHIO)-3-(2-NITROPHENYL)-PENTA-2,4-DIENENITRILE
SpectraBase Compound ID KVdgqlaFiX1
InChI InChI=1S/C14H11N3O2S2/c1-20-14(21-2)7-12(10(8-15)9-16)11-5-3-4-6-13(11)17(18)19/h3-7H,1-2H3
InChIKey LJFKJCMYNWNQFZ-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 36GkiUT3M45
Name 2-CYANO-5,5-BIS-(METHYLTHIO)-3-(2-NITROPHENYL)-PENTA-2,4-DIENENITRILE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11N3O2S2
InChI InChI=1S/C14H11N3O2S2/c1-20-14(21-2)7-12(10(8-15)9-16)11-5-3-4-6-13(11)17(18)19/h3-7H,1-2H3
InChIKey LJFKJCMYNWNQFZ-UHFFFAOYSA-N
Literature Reference Author T.FREIER,M.MICHALIK,K.PESEKE,H.REINKE
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1265(1999)
Literature Reference DOI 10.1039/a805857a
Molecular Weight 317.380 g/mol
Solvent CDCl3
Source File Reference UWRU10406