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1,4-benzenedicarboxylic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, dimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4-benzenedicarboxylic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, dimethyl ester
SpectraBase Compound ID H3q2RwA5SjZ
InChI InChI=1S/C23H22FN3O5/c1-4-5-19-18(21(28)27(26-19)16-9-7-15(24)8-10-16)13-25-20-12-14(22(29)31-2)6-11-17(20)23(30)32-3/h6-13,25H,4-5H2,1-3H3/b18-13-
InChIKey MFTLCJKAKABOPQ-AQTBWJFISA-N
Mol Weight 439.44 g/mol
Molecular Formula C23H22FN3O5
Exact Mass 439.154349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jtfp55xINH6
Name 2-[[(Z)-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22FN3O5
InChI InChI=1S/C23H22FN3O5/c1-4-5-19-18(21(28)27(26-19)16-9-7-15(24)8-10-16)13-25-20-12-14(22(29)31-2)6-11-17(20)23(30)32-3/h6-13,25H,4-5H2,1-3H3/b18-13-
InChIKey MFTLCJKAKABOPQ-AQTBWJFISA-N
Molecular Weight 439.443 g/mol
SMILES N(c1c(C(=O)OC)ccc(C(=O)OC)c1)\C=C/1C(N(N=C1CCC)c1ccc(cc1)F)=O
SPLASH splash10-001u-9872600000-3417c9a3947761aae5ee
Synonyms 2-[[(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Dimethyl 2-[[(Z)-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methyl]amino]benzene-1,4-dicarboxylate Dimethyl 2-[[(Z)-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methyl]amino]benzene-1,4-dicarboxylate
Wiley ID 1461478