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2-(4'-Bromophenyl)-6-(4'-cyanophenyl)-4,4-diphenyl-4H-thiopyran
SpectraBase Compound ID FFgVb82nvD1
InChI InChI=1S/C30H20BrNS/c31-27-17-15-24(16-18-27)29-20-30(25-7-3-1-4-8-25,26-9-5-2-6-10-26)19-28(33-29)23-13-11-22(21-32)12-14-23/h1-20H
InChIKey HEGBIHUJGOBJPY-UHFFFAOYSA-N
Mol Weight 506.46 g/mol
Molecular Formula C30H20BrNS
Exact Mass 505.049984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVcYtxY9XS6
Name 2-(4'-Bromophenyl)-6-(4'-cyanophenyl)-4,4-diphenyl-4H-thiopyran
Alternate Name(s) 4-[6-(4-bromophenyl)-4,4-diphenyl-4H-thiopyran-2-yl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H20BrNS
InChI InChI=1S/C30H20BrNS/c31-27-17-15-24(16-18-27)29-20-30(25-7-3-1-4-8-25,26-9-5-2-6-10-26)19-28(33-29)23-13-11-22(21-32)12-14-23/h1-20H
InChIKey HEGBIHUJGOBJPY-UHFFFAOYSA-N
Molecular Weight 506.461 g/mol
SMILES C1(C=C(c2ccc(cc2)Br)SC(=C1)c1ccc(C#N)cc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0a7i-0101980000-cb824cf5dc0daf2ca7d0
Source of Spectrum G-63-672-7
Wiley ID 749400