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N-[2-(phenylethynyl)prop-2-en-1-yl]-N,N-bis(p-toluenesulfonyl)imide
SpectraBase Compound ID 7r9WPPHSyhy
InChI InChI=1S/C25H23NO4S2/c1-20-10-15-24(16-11-20)31(27,28)26(32(29,30)25-17-12-21(2)13-18-25)19-22(3)9-14-23-7-5-4-6-8-23/h4-8,10-13,15-18H,3,19H2,1-2H3
InChIKey YGWITLIUYHEGJB-UHFFFAOYSA-N
Mol Weight 465.58 g/mol
Molecular Formula C25H23NO4S2
Exact Mass 465.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ipeho5QEVEv
Name N-[2-(phenylethynyl)prop-2-en-1-yl]-N,N-bis(p-toluenesulfonyl)imide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NO4S2
InChI InChI=1S/C25H23NO4S2/c1-20-10-15-24(16-11-20)31(27,28)26(32(29,30)25-17-12-21(2)13-18-25)19-22(3)9-14-23-7-5-4-6-8-23/h4-8,10-13,15-18H,3,19H2,1-2H3
InChIKey YGWITLIUYHEGJB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol5022433
Molecular Weight 465.582 g/mol
SMILES c1cc(ccc1)C#CC(CN(S(c1ccc(cc1)C)(=O)=O)S(=O)(c1ccc(cc1)C)=O)=C
SPLASH splash10-0a4m-4940100000-ac752d3aca4835b72aec
Source of Spectrum A1-16-4646/SMS36-8r
Synonyms 4-Methyl-N-(2-methylene-4-phenylbut-3-yn-1-yl)-N-tosylbenzenesulfonamide
Wiley ID 1751245