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3,6-Quinolinedicarboxylic acid, 2-amino-1-(3-fluorophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-5-oxo-7-(2-thienyl)-, diethyl ester
SpectraBase Compound ID A7j4kb4Vjrx
InChI InChI=1S/C31H28F2N2O5S/c1-3-39-30(37)25-21(23-9-6-14-41-23)16-22-26(28(25)36)24(17-10-12-18(32)13-11-17)27(31(38)40-4-2)29(34)35(22)20-8-5-7-19(33)15-20/h5-15,21,24-25H,3-4,16,34H2,1-2H3
InChIKey FNTWPCWWNMIDFF-UHFFFAOYSA-N
Mol Weight 578.63 g/mol
Molecular Formula C31H28F2N2O5S
Exact Mass 578.1687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mKBMRQARZa
Name 3,6-Quinolinedicarboxylic acid, 2-amino-1-(3-fluorophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-5-oxo-7-(2-thienyl)-, diethyl ester
Alternate Name(s) 2-Amino-1-(3-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylic acid diethyl ester Diethyl 2-amino-1-(3-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate Diethyl 2-amino-1-(3-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate Diethyl 2-azanyl-1-(3-fluorophenyl)-4-(4-fluorophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
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Formula C31H28F2N2O5S
InChI InChI=1S/C31H28F2N2O5S/c1-3-39-30(37)25-21(23-9-6-14-41-23)16-22-26(28(25)36)24(17-10-12-18(32)13-11-17)27(31(38)40-4-2)29(34)35(22)20-8-5-7-19(33)15-20/h5-15,21,24-25H,3-4,16,34H2,1-2H3
InChIKey FNTWPCWWNMIDFF-UHFFFAOYSA-N
Molecular Weight 578.631 g/mol
SMILES NC=1N(C2=C(C(C1C(OCC)=O)c1ccc(cc1)F)C(=O)C(C(=O)OCC)C(c1sccc1)C2)c1cccc(c1)F
SPLASH splash10-001r-3862920000-6ada28fb7cedc64a8423
Source of Spectrum IY-1-4504-8
Wiley ID 1653031