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2-CYANO-5-METHYLTHIO-5-PYRROLIDINO-3-PHENYL-PENTA-2,4-DIENE-NITRILE
SpectraBase Compound ID 4UKkY0lPoEC
InChI InChI=1S/C17H17N3S/c1-21-17(20-9-5-6-10-20)11-16(15(12-18)13-19)14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10H2,1H3/b17-11+
InChIKey UKCWJXICVONBAS-GZTJUZNOSA-N
Mol Weight 295.4 g/mol
Molecular Formula C17H17N3S
Exact Mass 295.114319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C12S9m7UqDU
Name 2-CYANO-5-METHYLTHIO-5-PYRROLIDINO-3-PHENYL-PENTA-2,4-DIENE-NITRILE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3S
InChI InChI=1S/C17H17N3S/c1-21-17(20-9-5-6-10-20)11-16(15(12-18)13-19)14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10H2,1H3/b17-11+
InChIKey UKCWJXICVONBAS-GZTJUZNOSA-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 295.402 g/mol
Solvent CDCl3
Source File Reference UWCP3558