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5-(AZETIDINYL)-2-CYANO-5-METHYLTHIO-3-PHENYL-PENTA-2,4-DIENE-NITRILE

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5-(AZETIDINYL)-2-CYANO-5-METHYLTHIO-3-PHENYL-PENTA-2,4-DIENE-NITRILE
SpectraBase Compound ID Ka2xtFYyGVx
InChI InChI=1S/C16H15N3S/c1-20-16(19-8-5-9-19)10-15(14(11-17)12-18)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9H2,1H3/b16-10+
InChIKey KQUKWYSWFPREPK-MHWRWJLKSA-N
Mol Weight 281.38 g/mol
Molecular Formula C16H15N3S
Exact Mass 281.098669 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PuvotdDvme
Name 5-(AZETIDINYL)-2-CYANO-5-METHYLTHIO-3-PHENYL-PENTA-2,4-DIENE-NITRILE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3S
InChI InChI=1S/C16H15N3S/c1-20-16(19-8-5-9-19)10-15(14(11-17)12-18)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9H2,1H3/b16-10+
InChIKey KQUKWYSWFPREPK-MHWRWJLKSA-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 UWCP3559