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1-Phenyl-5,5-dimethyl-4-N-(p-toluenesulfonyl)amino-1-hexyne
SpectraBase Compound ID 5E4giH7Egee
InChI InChI=1S/C21H25NO2S/c1-17-13-15-19(16-14-17)25(23,24)22-20(21(2,3)4)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-16,20,22H,12H2,1-4H3
InChIKey XBAGEHZSJDVJRE-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C21H25NO2S
Exact Mass 355.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iJgBRhT80X
Name 1-Phenyl-5,5-dimethyl-4-N-(p-toluenesulfonyl)amino-1-hexyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2S
InChI InChI=1S/C21H25NO2S/c1-17-13-15-19(16-14-17)25(23,24)22-20(21(2,3)4)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-16,20,22H,12H2,1-4H3
InChIKey XBAGEHZSJDVJRE-UHFFFAOYSA-N
Molecular Weight 355.496 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(C)(C)C)CC#Cc1ccccc1
SPLASH splash10-0006-3590000000-ebfa26124bfd98fe7242
Source of Spectrum KC-61-9590-3
Synonyms N-(1-tert-butyl-4-phenyl-3-butynyl)-4-methylbenzenesulfonamide
Wiley ID 1630742