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3-(PARA-BrOMOPHENYL)-4-[(E)-STYRYL]-5-CIS-METHYLTHIO-5-TRANS-CYANO-2,3,4,5-TETRAHYDROTHIAZOLE
SpectraBase Compound ID BMLpwSKifCx
InChI InChI=1S/C19H17BrN2S2/c1-23-19(13-21)18(12-7-15-5-3-2-4-6-15)22(14-24-19)17-10-8-16(20)9-11-17/h2-12,18H,14H2,1H3/b12-7+/t18-,19-/m0/s1
InChIKey WQHWRRNMYFPMKY-SZCOOPAMSA-N
Mol Weight 417.38 g/mol
Molecular Formula C19H17BrN2S2
Exact Mass 416.001654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgNOVLSx2h4
Name 3-(PARA-BrOMOPHENYL)-4-[(E)-STYRYL]-5-CIS-METHYLTHIO-5-TRANS-CYANO-2,3,4,5-TETRAHYDROTHIAZOLE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17BrN2S2
InChI InChI=1S/C19H17BrN2S2/c1-23-19(13-21)18(12-7-15-5-3-2-4-6-15)22(14-24-19)17-10-8-16(20)9-11-17/h2-12,18H,14H2,1H3/b12-7+/t18-,19-/m0/s1
InChIKey WQHWRRNMYFPMKY-SZCOOPAMSA-N
Literature Reference Author R.N.BUTLER,D.M.FARRELL,P.MCARDLE,D.CUNNINGHAM
Literature Reference Citation J.CHEM.SOC.PERKIN-1,869(1998)
Literature Reference DOI 10.1039/a707951f
Molecular Weight 417.381 g/mol
Solvent CDCl3
Source File Reference UWGE2858