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2-CYANO-5-METHYLTHIO-5-PIPERIDINO-3-PHENYL-PENTA-2,4-DIENE-NITRILE
SpectraBase Compound ID DAnsZOY0Fr2
InChI InChI=1S/C18H19N3S/c1-22-18(21-10-6-3-7-11-21)12-17(16(13-19)14-20)15-8-4-2-5-9-15/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b18-12+
InChIKey HWBMJZVQBCGTHA-LDADJPATSA-N
Mol Weight 309.43 g/mol
Molecular Formula C18H19N3S
Exact Mass 309.129969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hkfsW46XFN
Name 2-CYANO-5-METHYLTHIO-5-PIPERIDINO-3-PHENYL-PENTA-2,4-DIENE-NITRILE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19N3S
InChI InChI=1S/C18H19N3S/c1-22-18(21-10-6-3-7-11-21)12-17(16(13-19)14-20)15-8-4-2-5-9-15/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b18-12+
InChIKey HWBMJZVQBCGTHA-LDADJPATSA-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 309.429 g/mol
Solvent CDCl3
Source File Reference UWCP3557