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5-(AZIRIDINYL)-2-CYANO-5-METHYLTHIO-3-PHENYL-PENTA-2,4-DIENE-NITRILE;MAJOR-ISOMER
SpectraBase Compound ID LclM7W3VgAR
InChI InChI=1S/C15H13N3S/c1-19-15(18-7-8-18)9-14(13(10-16)11-17)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b15-9+
InChIKey YUSSIKXBYCIVIG-OQLLNIDSSA-N
Mol Weight 267.35 g/mol
Molecular Formula C15H13N3S
Exact Mass 267.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFTIwguAthn
Name 5-(AZIRIDINYL)-2-CYANO-5-METHYLTHIO-3-PHENYL-PENTA-2,4-DIENE-NITRILE;MINOR-ISOMER
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13N3S
InChI InChI=1S/C15H13N3S/c1-19-15(18-7-8-18)9-14(13(10-16)11-17)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b15-9+
InChIKey YUSSIKXBYCIVIG-OQLLNIDSSA-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 267.348 g/mol
Solvent CDCl3
Source File Reference UWCP3561