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(4-bromophenyl)-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone

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(4-bromophenyl)-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone
SpectraBase Compound ID 1xKAEcfHoHZ
InChI InChI=1S/C21H22BrFN4O4/c22-16-3-1-15(2-4-16)21(28)26-7-5-24(6-8-26)19-14-18(25-9-11-31-12-10-25)17(23)13-20(19)27(29)30/h1-4,13-14H,5-12H2
InChIKey PFCUQAVLWSTWOB-UHFFFAOYSA-N
Mol Weight 493.33 g/mol
Molecular Formula C21H22BrFN4O4
Exact Mass 492.080846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOtiZdI163J
Name morpholine, 4-[5-[4-(4-bromobenzoyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.080846363 u
Formula C21H22BrFN4O4
InChI InChI=1S/C21H22BrFN4O4/c22-16-3-1-15(2-4-16)21(28)26-7-5-24(6-8-26)19-14-18(25-9-11-31-12-10-25)17(23)13-20(19)27(29)30/h1-4,13-14H,5-12H2
InChIKey PFCUQAVLWSTWOB-UHFFFAOYSA-N
Molecular Weight 493.333 g/mol
NMR Offset 17.7237
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13512
Solvent CDCl3
Source Vendor ID: NMR/10271344; Lab Info: LIP; Lab Number: LIP-0000032