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1-Phenyl-5-methyl-4-N-(p-toluenesulfonyl)amino-1-hexyne

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

1-Phenyl-5-methyl-4-N-(p-toluenesulfonyl)amino-1-hexyne
SpectraBase Compound ID 4237HybBfUw
InChI InChI=1S/C20H23NO2S/c1-16(2)20(11-7-10-18-8-5-4-6-9-18)21-24(22,23)19-14-12-17(3)13-15-19/h4-6,8-9,12-16,20-21H,11H2,1-3H3
InChIKey LTGXQXQONCYUEN-UHFFFAOYSA-N
Mol Weight 341.47 g/mol
Molecular Formula C20H23NO2S
Exact Mass 341.14495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvodEB1cezS
Name 1-Phenyl-5-methyl-4-N-(p-toluenesulfonyl)amino-1-hexyne
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.144950157 u
Formula C20H23NO2S
InChI InChI=1S/C20H23NO2S/c1-16(2)20(11-7-10-18-8-5-4-6-9-18)21-24(22,23)19-14-12-17(3)13-15-19/h4-6,8-9,12-16,20-21H,11H2,1-3H3
InChIKey LTGXQXQONCYUEN-UHFFFAOYSA-N
Molecular Weight 341.469 g/mol
SMILES C(NS(C=1C=CC(=CC1)C)(=O)=O)(CC#CC=1C=CC=CC1)C(C)C