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(S,E)-N-(2-benzylidene-4-phenyl-1-o-tolylbut-3-ynyl)-4-methylbenzenesulfon -amide
SpectraBase Compound ID Kfhirh4Jhsg
InChI InChI=1S/C31H27NO2S/c1-24-17-21-29(22-18-24)35(33,34)32-31(30-16-10-9-11-25(30)2)28(23-27-14-7-4-8-15-27)20-19-26-12-5-3-6-13-26/h3-18,21-23,31-32H,1-2H3/b28-23+/t31-/m1/s1
InChIKey NVDHODWZLCHRGU-WXXQFSLYSA-N
Mol Weight 477.62 g/mol
Molecular Formula C31H27NO2S
Exact Mass 477.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFxCHWftBa8
Name (S,E)-N-(2-benzylidene-4-phenyl-1-o-tolylbut-3-ynyl)-4-methylbenzenesulfon -amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27NO2S
InChI InChI=1S/C31H27NO2S/c1-24-17-21-29(22-18-24)35(33,34)32-31(30-16-10-9-11-25(30)2)28(23-27-14-7-4-8-15-27)20-19-26-12-5-3-6-13-26/h3-18,21-23,31-32H,1-2H3/b28-23+/t31-/m1/s1
InChIKey NVDHODWZLCHRGU-WXXQFSLYSA-N
Literature Reference DOI 10.1002/adsc.200900219
Molecular Weight 477.622 g/mol
SMILES N([C@@](c1ccccc1C)(\C(C#Cc1ccccc1)=C\c1ccccc1)[H])S(=O)(c1ccc(C)cc1)=O
SPLASH splash10-0006-9140000000-9627acdebafdf159cf8c
Source of Spectrum ASC-351-1512/SM4-7c
Synonyms (S,E)-N-(2-benzylidene-4-phenyl-1-(o-tolyl)but-3-yn-1-yl)-4-methylbenzenesulfonamide
Wiley ID 1763255