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2-CYANO-3-(4-METHOXYPHENYL)-5-DIMETHYLAMINO-5-METHYLTHIO-PENTA-2,4-DIENE-NITRILE
SpectraBase Compound ID KPvA25DrD9k
InChI InChI=1S/C16H17N3OS/c1-19(2)16(21-4)9-15(13(10-17)11-18)12-5-7-14(20-3)8-6-12/h5-9H,1-4H3/b16-9+
InChIKey KFZBYCOACCLHET-CXUHLZMHSA-N
Mol Weight 299.39 g/mol
Molecular Formula C16H17N3OS
Exact Mass 299.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bek9reZYWA8
Name 2-CYANO-3-(4-METHOXYPHENYL)-5-DIMETHYLAMINO-5-METHYLTHIO-PENTA-2,4-DIENE-NITRILE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3OS
InChI InChI=1S/C16H17N3OS/c1-19(2)16(21-4)9-15(13(10-17)11-18)12-5-7-14(20-3)8-6-12/h5-9H,1-4H3/b16-9+
InChIKey KFZBYCOACCLHET-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
Molecular Weight 299.390 g/mol
Solvent CDCl3
Source File Reference UWCP3554