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Ethyl 4-((2-[(4-fluorobenzene)amido]phenyl)carbonyl)piperazine-1-carboxylate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Ethyl 4-((2-[(4-fluorobenzene)amido]phenyl)carbonyl)piperazine-1-carboxylate
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NDVOUueTMX
Name Ethyl 4-((2-[(4-fluorobenzene)amido]phenyl)carbonyl)piperazine-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.159434359 u
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 C(C1=C(NC(C2=CC=C(C=C2)F)=O)C=CC=C1)(N1CCN(C(=O)OCC)CC1)=O