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4-Oxo-2-propylamino-4H-quinoline-3,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID P4ZlitQ053
InChI InChI=1S/C16H18N2O5/c1-4-9-17-13-16(14(20)22-2,15(21)23-3)12(19)10-7-5-6-8-11(10)18-13/h5-8H,4,9H2,1-3H3,(H,17,18)
InChIKey ZOCUNAHYNAAYIW-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62jAtjLwOx2
Name 4-Oxo-2-propylamino-4H-quinoline-3,3-dicarboxylic acid dimethyl ester
Alternate Name(s) 4-Oxo-3-propylamino-4H-quinazolin-3,3-dicarboxylic acid dimethyl ester Dimethyl 4-oxo-2-(propylamino)-3,3(4H)-quinolinedicarboxylate
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Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-4-9-17-13-16(14(20)22-2,15(21)23-3)12(19)10-7-5-6-8-11(10)18-13/h5-8H,4,9H2,1-3H3,(H,17,18)
InChIKey ZOCUNAHYNAAYIW-UHFFFAOYSA-N
Molecular Weight 318.329 g/mol
SMILES N(C=1C(C(c2c(cccc2)N1)=O)(C(=O)OC)C(=O)OC)CCC
SPLASH splash10-004l-0391000000-92d2be44eec952935cde
Source of Spectrum F-69-2476-6
Wiley ID 1594870