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3-Toluenesulfonic acid 5-methylphenyl-2-[(4-nitrophenyl)amino]phenyl ester
SpectraBase Compound ID IGgH1V7dbUi
InChI InChI=1S/C20H18N2O5S/c1-14-4-3-5-18(12-14)28(25,26)27-20-13-15(2)6-11-19(20)21-16-7-9-17(10-8-16)22(23)24/h3-13,21H,1-2H3
InChIKey SZYHBYDMOHXFRJ-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C20H18N2O5S
Exact Mass 398.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeGJrW9S1k1
Name 3-Toluenesulfonic acid 5-methylphenyl-2-[(4-nitrophenyl)amino]phenyl ester
Alternate Name(s) 5-Methyl-2-(4-nitroanilino)phenyl 3-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O5S
InChI InChI=1S/C20H18N2O5S/c1-14-4-3-5-18(12-14)28(25,26)27-20-13-15(2)6-11-19(20)21-16-7-9-17(10-8-16)22(23)24/h3-13,21H,1-2H3
InChIKey SZYHBYDMOHXFRJ-UHFFFAOYSA-N
Molecular Weight 398.433 g/mol
SMILES N(c1c(OS(c2cc(C)ccc2)(=O)=O)cc(cc1)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0007-0392000000-b6f798f7d683d8259dd1
Source of Spectrum F-62-6798-19
Wiley ID 1634086