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2-CYANO-3-(4-METHYLPHENYL)-5-DIMETHYLAMINO-5-METHYLTHIO-PENTA-2,4-DIENE-NITRILE
SpectraBase Compound ID 8bWexAstm8I
InChI InChI=1S/C16H17N3S/c1-12-5-7-13(8-6-12)15(14(10-17)11-18)9-16(20-4)19(2)3/h5-9H,1-4H3/b16-9+
InChIKey GVMAIHNEAQBJHQ-CXUHLZMHSA-N
Mol Weight 283.39 g/mol
Molecular Formula C16H17N3S
Exact Mass 283.114319 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A2gOzBWk2z
Name 2-CYANO-3-(4-METHYLPHENYL)-5-DIMETHYLAMINO-5-METHYLTHIO-PENTA-2,4-DIENE-NITRILE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3S
InChI InChI=1S/C16H17N3S/c1-12-5-7-13(8-6-12)15(14(10-17)11-18)9-16(20-4)19(2)3/h5-9H,1-4H3/b16-9+
InChIKey GVMAIHNEAQBJHQ-CXUHLZMHSA-N
Literature Reference Author M.MICHALIK,T.FREIER,K.ZAHN,K.PESEKE
Literature Reference Citation MAGN.RES.CHEM.,35,859(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199712)35:12<859::aid-omr189>3.3.co;2-l
Solvent CDCl3
Source File Reference UWCP3553