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N-((2-((2-allylphenyl)ethynyl)phenyl)ethynyl)-N,4-dimethylbenzenesulfonamide
SpectraBase Compound ID KkOFx16lIrs
InChI InChI=1S/C27H23NO2S/c1-4-9-23-10-5-6-11-24(23)16-17-25-12-7-8-13-26(25)20-21-28(3)31(29,30)27-18-14-22(2)15-19-27/h4-8,10-15,18-19H,1,9H2,2-3H3
InChIKey JVMIDWYUMFQQAU-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C27H23NO2S
Exact Mass 425.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZgIidCQJV5
Name N-((2-((2-allylphenyl)ethynyl)phenyl)ethynyl)-N,4-dimethylbenzenesulfonamide
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.144950157 u
Formula C27H23NO2S
InChI InChI=1S/C27H23NO2S/c1-4-9-23-10-5-6-11-24(23)16-17-25-12-7-8-13-26(25)20-21-28(3)31(29,30)27-18-14-22(2)15-19-27/h4-8,10-15,18-19H,1,9H2,2-3H3
InChIKey JVMIDWYUMFQQAU-UHFFFAOYSA-N
Instrument Name Jeol JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201900996
Molecular Weight 425.546 g/mol
Reported Formula C27H23NO2S
SMILES C1=CC(C#CN(S(C2=CC=C(C=C2)C)(=O)=O)C)=C(C#CC2=CC=CC=C2CC=C)C=C1
SPLASH splash10-004i-0090000000-3cbf648b57a2851034ff
Source of Spectrum QE-25-SM35-1q (DOI: 10.1002/chem.201900996)
Thin-Layer Chromatography 0.31 (PE/EA, 5:1)
Wiley ID 1893841