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benzoic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, methyl ester
SpectraBase Compound ID 4HBUU2IjOF
InChI InChI=1S/C21H20FN3O3/c1-3-6-19-17(13-23-18-8-5-4-7-16(18)21(27)28-2)20(26)25(24-19)15-11-9-14(22)10-12-15/h4-5,7-13,23H,3,6H2,1-2H3/b17-13-
InChIKey JTGSUXKEJBVPKB-LGMDPLHJSA-N
Mol Weight 381.41 g/mol
Molecular Formula C21H20FN3O3
Exact Mass 381.14887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgqGWtNtVOk
Name 2-[[(Z)-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methyl]amino]benzoic acid methyl ester
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Formula C21H20FN3O3
InChI InChI=1S/C21H20FN3O3/c1-3-6-19-17(13-23-18-8-5-4-7-16(18)21(27)28-2)20(26)25(24-19)15-11-9-14(22)10-12-15/h4-5,7-13,23H,3,6H2,1-2H3/b17-13-
InChIKey JTGSUXKEJBVPKB-LGMDPLHJSA-N
Molecular Weight 381.407 g/mol
SMILES N(\C=C/1C(N(N=C1CCC)c1ccc(cc1)F)=O)c1c(C(=O)OC)cccc1
SPLASH splash10-001i-1659000000-b259b26a37cc1edb6beb
Synonyms 2-[[(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methyl]amino]benzoic acid methyl ester Methyl 2-({(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate Methyl 2-[[(Z)-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methyl]amino]benzoate Methyl 2-[[(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methyl]amino]benzoate
Wiley ID 1453694