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2-CYANO-3-(4-NITROPHENYL)-5-DIMETHYLAMINO-5-METHYLTHIO-PENTA-2,4-DIENE-NITRILE
SpectraBase Compound ID JMvcZmERXzk
InChI InChI=1S/C15H14N4O2S/c1-18(2)15(22-3)8-14(12(9-16)10-17)11-4-6-13(7-5-11)19(20)21/h4-8H,1-3H3/b15-8+
InChIKey JHNSUEACQVUHNX-OVCLIPMQSA-N
Mol Weight 314.36 g/mol
Molecular Formula C15H14N4O2S
Exact Mass 314.083747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCnsT4pfwDU
Name 2-CYANO-3-(4-NITROPHENYL)-5-DIMETHYLAMINO-5-METHYLTHIO-PENTA-2,4-DIENE-NITRILE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14N4O2S
InChI InChI=1S/C15H14N4O2S/c1-18(2)15(22-3)8-14(12(9-16)10-17)11-4-6-13(7-5-11)19(20)21/h4-8H,1-3H3/b15-8+
InChIKey JHNSUEACQVUHNX-OVCLIPMQSA-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 314.362 g/mol
Solvent CDCl3
Source File Reference UWCP3549