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1,4-Diphenyl-4-N-(p-toluenesulfonyl)amino-1-butyne

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-Diphenyl-4-N-(p-toluenesulfonyl)amino-1-butyne
SpectraBase Compound ID J7vYhn55pKz
InChI InChI=1S/C23H21NO2S/c1-19-15-17-22(18-16-19)27(25,26)24-23(21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,15-18,23-24H,14H2,1H3
InChIKey GIIARZBTTUBMIX-UHFFFAOYSA-N
Mol Weight 375.49 g/mol
Molecular Formula C23H21NO2S
Exact Mass 375.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LW6OWck3aOf
Name 1,4-Diphenyl-4-N-(p-toluenesulfonyl)amino-1-butyne
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.129300092 u
Formula C23H21NO2S
InChI InChI=1S/C23H21NO2S/c1-19-15-17-22(18-16-19)27(25,26)24-23(21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,15-18,23-24H,14H2,1H3
InChIKey GIIARZBTTUBMIX-UHFFFAOYSA-N
Molecular Weight 375.486 g/mol
SMILES C(NS(C=1C=CC(=CC1)C)(=O)=O)(C1=CC=CC=C1)CC#CC=1C=CC=CC1