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3,4-Bis(carboxymethyl)-6-methyl-2-[(4-methylphenyl)amino]quinoline
SpectraBase Compound ID EARmznXw9b3
InChI InChI=1S/C21H20N2O4/c1-12-3-6-14(7-4-12)22-21-17(11-20(26)27)15(10-19(24)25)16-9-13(2)5-8-18(16)23-21/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)
InChIKey CFWREPHFAQZTEF-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jIuhJDmbOP
Name 3,4-Bis(carboxymethyl)-6-methyl-2-[(4-methylphenyl)amino]quinoline
Alternate Name(s) [3-(carboxymethyl)-6-methyl-2-(4-toluidino)-4-quinolinyl]acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-12-3-6-14(7-4-12)22-21-17(11-20(26)27)15(10-19(24)25)16-9-13(2)5-8-18(16)23-21/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)
InChIKey CFWREPHFAQZTEF-UHFFFAOYSA-N
Molecular Weight 364.401 g/mol
SMILES OC(Cc1c2c(nc(c1CC(=O)O)Nc1ccc(cc1)C)ccc(c2)C)=O
SPLASH splash10-03di-0009000000-80dc921f4acf5708834d
Source of Spectrum OV-23-4716-12
Wiley ID 1578232