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N-(But-3-yn-2-yl)-N-((2, 3-diphenylcycloallyl)methyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 4AkgrNASRqI
InChI InChI=1S/C27H25NO2S/c1-4-21(3)28(31(29,30)24-17-15-20(2)16-18-24)19-25-26(22-11-7-5-8-12-22)27(25)23-13-9-6-10-14-23/h1,5-18,21,25H,19H2,2-3H3
InChIKey QEWSVVWFSZCRNU-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 1oHZtJp05zp
Name N-(But-3-yn-2-yl)-N-((2, 3-diphenylcycloallyl)methyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-(but-3-yn-2-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/c1-4-21(3)28(31(29,30)24-17-15-20(2)16-18-24)19-25-26(22-11-7-5-8-12-22)27(25)23-13-9-6-10-14-23/h1,5-18,21,25H,19H2,2-3H3
InChIKey QEWSVVWFSZCRNU-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)C(C#C)C)c1ccccc1
SPLASH splash10-0006-2900000000-74f1f9f69f822b4a6100
Source of Spectrum A1-12-3082/SMS5-3c
Wiley ID 1752357