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N-Benzyl-N-(2-ethynylphenylethynyl)-4-methylbenzenesulfonamide

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

N-Benzyl-N-(2-ethynylphenylethynyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 34uWSSX1W4y
InChI InChI=1S/C24H19NO2S/c1-3-22-11-7-8-12-23(22)17-18-25(19-21-9-5-4-6-10-21)28(26,27)24-15-13-20(2)14-16-24/h1,4-16H,19H2,2H3
InChIKey LGSGGOITXQTCGQ-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C24H19NO2S
Exact Mass 385.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWj4ponZjhF
Name N-Benzyl-N-(2-ethynylphenylethynyl)-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.113650028 u
Formula C24H19NO2S
InChI InChI=1S/C24H19NO2S/c1-3-22-11-7-8-12-23(22)17-18-25(19-21-9-5-4-6-10-21)28(26,27)24-15-13-20(2)14-16-24/h1,4-16H,19H2,2H3
InChIKey LGSGGOITXQTCGQ-UHFFFAOYSA-N
Molecular Weight 385.481 g/mol
SMILES C=1(C=CC(=CC1)C)S(=O)(=O)N(C#CC=1C(=CC=CC1)C#C)CC=1C=CC=CC1