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2-CYANO-3-(2-DIMETHYLAMINOPHENYL)-5,5-BIS-(METHYLTHIO)-PENTA-2,4-DIENENITRILE
SpectraBase Compound ID 5tC7p4xxPPn
InChI InChI=1S/C16H17N3S2/c1-19(2)15-8-6-5-7-13(15)14(12(10-17)11-18)9-16(20-3)21-4/h5-9H,1-4H3
InChIKey NHWPSDAKJCGAJL-UHFFFAOYSA-N
Mol Weight 315.45 g/mol
Molecular Formula C16H17N3S2
Exact Mass 315.08639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30HWcv6RaO5
Name 2-CYANO-3-(2-DIMETHYLAMINOPHENYL)-5,5-BIS-(METHYLTHIO)-PENTA-2,4-DIENENITRILE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3S2
InChI InChI=1S/C16H17N3S2/c1-19(2)15-8-6-5-7-13(15)14(12(10-17)11-18)9-16(20-3)21-4/h5-9H,1-4H3
InChIKey NHWPSDAKJCGAJL-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 315.451 g/mol
Solvent CDCl3
Source File Reference UWRU10400