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 Google Search
Mol Weight	399.42 g/mol
Molecular Formula	C21H22FN3O4
Exact Mass	399.159434 g/mol

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SpectraBase Spectrum ID	JXWWKY6MGvA
Name	1-piperazinecarboxylic acid, 4-[2-[(4-fluorobenzoyl)amino]benzoyl]-,ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 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
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16883
Solvent	DMSO-d6
Source	Vendor ID: NMR/10311644; Lab Info: DEC; Lab Number: DEC-S000257