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Benzenesulfonic acid, 4-nitro-, 3,3'-dimethylbiphen-4-yl ester
SpectraBase Compound ID FR1fSjb4kxQ
InChI InChI=1S/C20H17NO5S/c1-14-4-3-5-16(12-14)17-6-11-20(15(2)13-17)26-27(24,25)19-9-7-18(8-10-19)21(22)23/h3-13H,1-2H3
InChIKey CGIHRXWKLYLVMX-UHFFFAOYSA-N
Mol Weight 383.42 g/mol
Molecular Formula C20H17NO5S
Exact Mass 383.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy8fXnbVcWs
Name Benzenesulfonic acid, 4-nitro-, 3,3'-dimethylbiphen-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5S
InChI InChI=1S/C20H17NO5S/c1-14-4-3-5-16(12-14)17-6-11-20(15(2)13-17)26-27(24,25)19-9-7-18(8-10-19)21(22)23/h3-13H,1-2H3
InChIKey CGIHRXWKLYLVMX-UHFFFAOYSA-N
Molecular Weight 383.418 g/mol
SMILES Cc1cc(-c2ccc(OS(c3ccc(N(=O)=O)cc3)(=O)=O)c(c2)C)ccc1
SPLASH splash10-0002-2900000000-cacc3922cb8e2ec5a11d
Synonyms 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 4-nitrobenzenesulfonate 4-Nitrobenzenesulfonic acid [2-methyl-4-(3-methylphenyl)phenyl] ester [2-methyl-4-(m-tolyl)phenyl] 4-nitrobenzenesulfonate [2-methyl-4-(3-methylphenyl)phenyl] 4-nitrobenzenesulfonate
Wiley ID 1440257