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(S,E)-N-(2-benzylidene-1,4-diphenylbut-3-ynyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID EPkdYnzBtrM
InChI InChI=1S/C30H25NO2S/c1-24-17-21-29(22-18-24)34(32,33)31-30(27-15-9-4-10-16-27)28(23-26-13-7-3-8-14-26)20-19-25-11-5-2-6-12-25/h2-18,21-23,30-31H,1H3/b28-23+/t30-/m0/s1
InChIKey QSCOEJWGYVFGER-VWEGPVMPSA-N
Mol Weight 463.6 g/mol
Molecular Formula C30H25NO2S
Exact Mass 463.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvLYGUdL5xf
Name (S,E)-N-(2-benzylidene-1,4-diphenylbut-3-ynyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25NO2S
InChI InChI=1S/C30H25NO2S/c1-24-17-21-29(22-18-24)34(32,33)31-30(27-15-9-4-10-16-27)28(23-26-13-7-3-8-14-26)20-19-25-11-5-2-6-12-25/h2-18,21-23,30-31H,1H3/b28-23+/t30-/m0/s1
InChIKey QSCOEJWGYVFGER-VWEGPVMPSA-N
Literature Reference DOI 10.1002/adsc.200900219
Molecular Weight 463.595 g/mol
SMILES N([C@@](c1ccccc1)(\C(C#Cc1ccccc1)=C\c1ccccc1)[H])S(=O)(c1ccc(C)cc1)=O
SPLASH splash10-052f-9261000000-5dbd1f0b27a4491eb2a5
Source of Spectrum ASC-351-1512/SM3-7a
Synonyms (S,E)-N-(2-benzylidene-1,4-diphenylbut-3-yn-1-yl)-4-methylbenzenesulfonamide
Wiley ID 1763254