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(S,E)-N-(2-benzylidene-1-phenylnon-3-ynyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 6GzPwHOTIex
InChI InChI=1S/C29H31NO2S/c1-3-4-5-6-11-18-27(23-25-14-9-7-10-15-25)29(26-16-12-8-13-17-26)30-33(31,32)28-21-19-24(2)20-22-28/h7-10,12-17,19-23,29-30H,3-6H2,1-2H3/b27-23+/t29-/m0/s1
InChIKey KFTGYBHUBPKJIN-MCJFUJOWSA-N
Mol Weight 457.63 g/mol
Molecular Formula C29H31NO2S
Exact Mass 457.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HectXUQhtRg
Name (S,E)-N-(2-benzylidene-1-phenylnon-3-ynyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NO2S
InChI InChI=1S/C29H31NO2S/c1-3-4-5-6-11-18-27(23-25-14-9-7-10-15-25)29(26-16-12-8-13-17-26)30-33(31,32)28-21-19-24(2)20-22-28/h7-10,12-17,19-23,29-30H,3-6H2,1-2H3/b27-23+/t29-/m0/s1
InChIKey KFTGYBHUBPKJIN-MCJFUJOWSA-N
Literature Reference DOI 10.1002/adsc.200900219
Molecular Weight 457.632 g/mol
SMILES N([C@@](c1ccccc1)(\C(C#CCCCCC)=C\c1ccccc1)[H])S(=O)(c1ccc(C)cc1)=O
SPLASH splash10-0006-9340000000-696a8e8fd631b9623244
Source of Spectrum ASC-351-1512/SM9-7m
Synonyms (S,E)-N-(2-benzylidene-1-phenylnon-3-yn-1-yl)-4-methylbenzenesulfonamide
Wiley ID 1763265