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5'-Chloro-2'-(4-dimethylamino benzenesulfinyl)biphenyl-4-carbonitrile
SpectraBase Compound ID HoS3sige2Ef
InChI InChI=1S/C21H17ClN2OS/c1-24(2)18-8-10-19(11-9-18)26(25)21-12-7-17(22)13-20(21)16-5-3-15(14-23)4-6-16/h3-13H,1-2H3
InChIKey VZWXZSHCNMIAQA-UHFFFAOYSA-N
Mol Weight 380.89 g/mol
Molecular Formula C21H17ClN2OS
Exact Mass 380.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LF3BsRSTTB
Name 5'-Chloro-2'-(4-dimethylamino benzenesulfinyl)biphenyl-4-carbonitrile
Alternate Name(s) 5'-chloro-2'-((4-(dimethylamino)phenyl)sulfinyl)-[1,1'-biphenyl]-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2OS
InChI InChI=1S/C21H17ClN2OS/c1-24(2)18-8-10-19(11-9-18)26(25)21-12-7-17(22)13-20(21)16-5-3-15(14-23)4-6-16/h3-13H,1-2H3
InChIKey VZWXZSHCNMIAQA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol801431z
Molecular Weight 380.893 g/mol
SMILES c1c(Cl)ccc(S(=O)c2ccc(N(C)C)cc2)c1-c1ccc(cc1)C#N
SPLASH splash10-00m0-0904000000-957cbd3533902c1d0f14
Source of Spectrum A1-10-3891/SM8-3a
Wiley ID 1759718