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3-[6-methoxy-2-methyl-8-(p-tolylsulfonylamino)-5-quinolyl]acrylic acid
SpectraBase Compound ID 9mqFdZ0TnEH
InChI InChI=1S/C21H20N2O5S/c1-13-4-7-15(8-5-13)29(26,27)23-18-12-19(28-3)16(10-11-20(24)25)17-9-6-14(2)22-21(17)18/h4-12,23H,1-3H3,(H,24,25)/b11-10+
InChIKey GXUWXFDNRVRRFK-ZHACJKMWSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kWnPkwralt
Name 3-[6-methoxy-2-methyl-8-(p-tolylsulfonylamino)-5-quinolyl]acrylic acid
Alternate Name(s) (2E)-3-(6-methoxy-2-methyl-8-{[(4-methylphenyl)sulfonyl]amino}-5-quinolinyl)-2-propenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-13-4-7-15(8-5-13)29(26,27)23-18-12-19(28-3)16(10-11-20(24)25)17-9-6-14(2)22-21(17)18/h4-12,23H,1-3H3,(H,24,25)/b11-10+
InChIKey GXUWXFDNRVRRFK-ZHACJKMWSA-N
Molecular Weight 412.460 g/mol
SMILES N(c1cc(c(\C=C\C(=O)O)c2c1nc(cc2)C)OC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-001i-9032000000-66d88cb3b6c65f1cb498
Source of Spectrum JA-49-561-0
Wiley ID 1374353