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3-(2-CHLOROPHENYL)-2-CYANO-5,5-BIS-(METHYLTHIO)-PENTA-2,4-DIENENITRILE
SpectraBase Compound ID GRJZmAi6VRu
InChI InChI=1S/C14H11ClN2S2/c1-18-14(19-2)7-12(10(8-16)9-17)11-5-3-4-6-13(11)15/h3-7H,1-2H3
InChIKey USVQTCXJPJHUSB-UHFFFAOYSA-N
Mol Weight 306.83 g/mol
Molecular Formula C14H11ClN2S2
Exact Mass 306.005218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ie7hPtA2sE6
Name 3-(2-CHLOROPHENYL)-2-CYANO-5,5-BIS-(METHYLTHIO)-PENTA-2,4-DIENENITRILE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11ClN2S2
InChI InChI=1S/C14H11ClN2S2/c1-18-14(19-2)7-12(10(8-16)9-17)11-5-3-4-6-13(11)15/h3-7H,1-2H3
InChIKey USVQTCXJPJHUSB-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 306.828 g/mol
Solvent CDCl3
Source File Reference UWRU10404