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(S,E)-N-(2-benzylidene-1-(4-chlorophenyl)-4-phenylbut-3-ynyl)-4-methylbenzene-sulfonamide
SpectraBase Compound ID BbwU5rOyVtJ
InChI InChI=1S/C30H24ClNO2S/c1-23-12-20-29(21-13-23)35(33,34)32-30(26-16-18-28(31)19-17-26)27(22-25-10-6-3-7-11-25)15-14-24-8-4-2-5-9-24/h2-13,16-22,30,32H,1H3/b27-22+/t30-/m0/s1
InChIKey AIKMGKTYDOVAGL-YFSYDMKQSA-N
Mol Weight 498.04 g/mol
Molecular Formula C30H24ClNO2S
Exact Mass 497.121628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60mLvU4vhhg
Name (S,E)-N-(2-benzylidene-1-(4-chlorophenyl)-4-phenylbut-3-ynyl)-4-methylbenzene-sulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24ClNO2S
InChI InChI=1S/C30H24ClNO2S/c1-23-12-20-29(21-13-23)35(33,34)32-30(26-16-18-28(31)19-17-26)27(22-25-10-6-3-7-11-25)15-14-24-8-4-2-5-9-24/h2-13,16-22,30,32H,1H3/b27-22+/t30-/m0/s1
InChIKey AIKMGKTYDOVAGL-YFSYDMKQSA-N
Literature Reference DOI 10.1002/adsc.200900219
Molecular Weight 498.040 g/mol
SMILES N([C@@](c1ccc(cc1)Cl)(\C(C#Cc1ccccc1)=C\c1ccccc1)[H])S(=O)(c1ccc(C)cc1)=O
SPLASH splash10-0006-9531000000-8df5d4ce22e56dac7d0b
Source of Spectrum ASC-351-1512/SM5-7d
Synonyms (S,E)-N-(2-benzylidene-1-(4-chlorophenyl)-4-phenylbut-3-yn-1-yl)-4-methylbenzenesulfonamide N-[(1S,2E)-1-(4-chlorophenyl)-4-phenyl-2-(phenylmethylene)but-3-ynyl]-4-methylbenzenesulfonamide N-[(1S,2E)-2-benzylidene-1-(4-chlorophenyl)-4-phenylbut-3-ynyl]-4-methylbenzenesulfonamide N-[(1S,2E)-2-benzylidene-1-(4-chlorophenyl)-4-phenyl-but-3-ynyl]-4-methyl-benzenesulfonamide N-[(1S,2E)-1-(4-chlorophenyl)-4-phenyl-2-(phenylmethylidene)but-3-ynyl]-4-methyl-benzenesulfonamide
Wiley ID 1763256