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N-(But-2-ynyl)-N-((2,3-diphenylcycloallyl)methyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID mTH4kb2wvJ
InChI InChI=1S/C27H25NO2S/c1-3-4-19-28(31(29,30)24-17-15-21(2)16-18-24)20-25-26(22-11-7-5-8-12-22)27(25)23-13-9-6-10-14-23/h5-18,25H,19-20H2,1-2H3
InChIKey PUZFSPZGFGPHIK-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C27H25NO2S
Exact Mass 427.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GpWoP9ks4y
Name N-(But-2-ynyl)-N-((2,3-diphenylcycloallyl)methyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-(but-2-yn-1-yl)-N-((2,3-diphenylcycloprop-2-en-1-yl)methyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO2S
InChI InChI=1S/C27H25NO2S/c1-3-4-19-28(31(29,30)24-17-15-21(2)16-18-24)20-25-26(22-11-7-5-8-12-22)27(25)23-13-9-6-10-14-23/h5-18,25H,19-20H2,1-2H3
InChIKey PUZFSPZGFGPHIK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol101091r
Molecular Weight 427.562 g/mol
SMILES C1(c2ccccc2)=C(C1CN(S(c1ccc(cc1)C)(=O)=O)CC#CC)c1ccccc1
SPLASH splash10-0006-1900000000-1309003af69d15a3e286
Source of Spectrum A1-12-3082/SMS5-3b
Wiley ID 1752356