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Methyl 2-{[6,7-dimethoxy-4-(trifluoromethyl)quinolin-2-yl]amino}benzoate
SpectraBase Compound ID UdFH0aVmWx
InChI InChI=1S/C20H17F3N2O4/c1-27-16-8-12-13(20(21,22)23)9-18(25-15(12)10-17(16)28-2)24-14-7-5-4-6-11(14)19(26)29-3/h4-10H,1-3H3,(H,24,25)
InChIKey BAKCSSGFKLVQPS-UHFFFAOYSA-N
Mol Weight 406.36 g/mol
Molecular Formula C20H17F3N2O4
Exact Mass 406.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JabpmsBs32
Name Methyl 2-{[6,7-dimethoxy-4-(trifluoromethyl)quinolin-2-yl]amino}benzoate
Alternate Name(s) 2-[[6,7-dimethoxy-4-(trifluoromethyl)-2-quinolinyl]amino]benzoic acid methyl ester methyl 2-[[6,7-dimethoxy-4-(trifluoromethyl)-2-quinolyl]amino]benzoate methyl 2-[[6,7-dimethoxy-4-(trifluoromethyl)quinolin-2-yl]amino]benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H17F3N2O4
InChI InChI=1S/C20H17F3N2O4/c1-27-16-8-12-13(20(21,22)23)9-18(25-15(12)10-17(16)28-2)24-14-7-5-4-6-11(14)19(26)29-3/h4-10H,1-3H3,(H,24,25)
InChIKey BAKCSSGFKLVQPS-UHFFFAOYSA-N
Molecular Weight 406.361 g/mol
SMILES N(c1c(C(=O)OC)cccc1)c1nc2c(c(C(F)(F)F)c1)cc(c(OC)c2)OC
SPLASH splash10-0a4i-0003900000-0fe2b76602af6fe51015
Source of Spectrum Y-46-418-4c
Wiley ID 1666743