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benzoic acid, 4-[3-[4-(2-fluorobenzoyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]-, methyl ester
SpectraBase Compound ID GGo0ZfrLwAK
InChI InChI=1S/C23H22FN3O5/c1-32-23(31)15-6-8-16(9-7-15)27-20(28)14-19(22(27)30)25-10-12-26(13-11-25)21(29)17-4-2-3-5-18(17)24/h2-9,19H,10-14H2,1H3
InChIKey QUBHDTQOYOVDHK-UHFFFAOYSA-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 6L35txAWObs
Name 4-[3-[4-(2-fluorobenzoyl)piperazino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester
Alternate Name(s) 4-[3-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester Methyl 4-[3-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate Methyl 4-[3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22FN3O5
InChI InChI=1S/C23H22FN3O5/c1-32-23(31)15-6-8-16(9-7-15)27-20(28)14-19(22(27)30)25-10-12-26(13-11-25)21(29)17-4-2-3-5-18(17)24/h2-9,19H,10-14H2,1H3
InChIKey QUBHDTQOYOVDHK-UHFFFAOYSA-N
Molecular Weight 439.443 g/mol
SMILES c1ccc(C(N2CCN(C3C(N(C(C3)=O)c3ccc(C(=O)OC)cc3)=O)CC2)=O)c(F)c1
SPLASH splash10-05fs-9720000000-0c253a2c5a813d9c471e
Wiley ID 1457904