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4-Methyl-N,N-bis(3-phenylprop-2-yn-1-yl)benzenesulfonamide
SpectraBase Compound ID JDmReOzwp2B
InChI InChI=1S/C25H21NO2S/c1-22-16-18-25(19-17-22)29(27,28)26(20-8-14-23-10-4-2-5-11-23)21-9-15-24-12-6-3-7-13-24/h2-7,10-13,16-19H,20-21H2,1H3
InChIKey UHEXRJCVRXFUHL-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C25H21NO2S
Exact Mass 399.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bCZsHimVvh
Name 4-Methyl-N,N-bis(3-phenylprop-2-yn-1-yl)benzenesulfonamide
Appearance Light brown solid
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Formula C25H21NO2S
InChI InChI=1S/C25H21NO2S/c1-22-16-18-25(19-17-22)29(27,28)26(20-8-14-23-10-4-2-5-11-23)21-9-15-24-12-6-3-7-13-24/h2-7,10-13,16-19H,20-21H2,1H3
InChIKey UHEXRJCVRXFUHL-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 399.508 g/mol
Reported Formula C25H21NO2S
SMILES C(N(CC#Cc1ccccc1)S(c1ccc(cc1)C)(=O)=O)C#Cc1ccccc1
SPLASH splash10-00kf-0490000000-ec4e73fcc8d476444661
Source of Spectrum A1-23-SM20-1b
Thin-Layer Chromatography Rf = 0.30 (hexane/AcOEt, 5:1)
Wiley ID 1868018