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4-[[2-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SpectraBase Compound ID 6SNxk08GV97
InChI InChI=1S/C21H22FN3O4/c1-2-29-21(28)25-13-11-24(12-14-25)20(27)17-5-3-4-6-18(17)23-19(26)15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,26)
InChIKey UBQPWAVBBPMWLE-UHFFFAOYSA-N
Mol Weight 399.42 g/mol
Molecular Formula C21H22FN3O4
Exact Mass 399.159434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOjfZ4GpJLw
Name 4-[[2-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 4-[2-[(4-fluorobenzoyl)amino]benzoyl]piperazine-1-carboxylate Ethyl 4-[2-[(4-fluorophenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Ethyl 4-{2-[(4-fluorobenzoyl)amino]benzoyl}-1-piperazinecarboxylate
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Formula C21H22FN3O4
InChI InChI=1S/C21H22FN3O4/c1-2-29-21(28)25-13-11-24(12-14-25)20(27)17-5-3-4-6-18(17)23-19(26)15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,26)
InChIKey UBQPWAVBBPMWLE-UHFFFAOYSA-N
Molecular Weight 399.422 g/mol
SMILES N(C(c1ccc(cc1)F)=O)c1c(C(N2CCN(CC2)C(=O)OCC)=O)cccc1
SPLASH splash10-0597-7940000000-7bffc4a6ffb6dd10b5c4
Wiley ID 1452381