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N-2-[2-(Phenylethynyl)phenyl-N-2-(4-nitrophenylethynyl tosylamide
SpectraBase Compound ID Ly4jZ5UfiQM
InChI InChI=1S/C29H20N2O4S/c1-23-11-19-28(20-12-23)36(34,35)30(22-21-25-14-17-27(18-15-25)31(32)33)29-10-6-5-9-26(29)16-13-24-7-3-2-4-8-24/h2-12,14-15,17-20H,1H3
InChIKey GJMBTFLXQXNFAD-UHFFFAOYSA-N
Mol Weight 492.55 g/mol
Molecular Formula C29H20N2O4S
Exact Mass 492.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APpIlkooDMQ
Name N-2-[2-(Phenylethynyl)phenyl-N-2-(4-nitrophenylethynyl tosylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H20N2O4S
InChI InChI=1S/C29H20N2O4S/c1-23-11-19-28(20-12-23)36(34,35)30(22-21-25-14-17-27(18-15-25)31(32)33)29-10-6-5-9-26(29)16-13-24-7-3-2-4-8-24/h2-12,14-15,17-20H,1H3
InChIKey GJMBTFLXQXNFAD-UHFFFAOYSA-N
Molecular Weight 492.549 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)c1c(C#Cc2ccccc2)cccc1)#Cc1ccc(N(=O)=O)cc1
SPLASH splash10-0019-0059300000-9ff087cd50766d17ada6
Source of Spectrum F-62-3853-9
Wiley ID 1632968