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1-Phenyl-4-N-(p-toluenesulfonyl)amin-1-decyne

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

1-Phenyl-4-N-(p-toluenesulfonyl)amin-1-decyne
SpectraBase Compound ID DIRtUB3Lpon
InChI InChI=1S/C23H29NO2S/c1-3-4-5-9-14-22(15-10-13-21-11-7-6-8-12-21)24-27(25,26)23-18-16-20(2)17-19-23/h6-8,11-12,16-19,22,24H,3-5,9,14-15H2,1-2H3
InChIKey SAEJLPWJYDKQRL-UHFFFAOYSA-N
Mol Weight 383.55 g/mol
Molecular Formula C23H29NO2S
Exact Mass 383.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vs4RmxTXcP
Name 1-Phenyl-4-N-(p-toluenesulfonyl)amin-1-decyne
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.191900350 u
Formula C23H29NO2S
InChI InChI=1S/C23H29NO2S/c1-3-4-5-9-14-22(15-10-13-21-11-7-6-8-12-21)24-27(25,26)23-18-16-20(2)17-19-23/h6-8,11-12,16-19,22,24H,3-5,9,14-15H2,1-2H3
InChIKey SAEJLPWJYDKQRL-UHFFFAOYSA-N
Molecular Weight 383.550 g/mol
SMILES C(NS(C=1C=CC(=CC1)C)(=O)=O)(CC#CC=1C=CC=CC1)CCCCCC