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3H-pyrazol-3-one, 4-[[[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-nitrophenyl)-, (4E)-

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3H-pyrazol-3-one, 4-[[[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-nitrophenyl)-, (4E)-
SpectraBase Compound ID F4OeHJaFjRd
InChI InChI=1S/C24H25FN6O4/c1-17-22(24(33)30(27-17)20-6-8-21(9-7-20)31(34)35)16-26-10-11-28-12-14-29(15-13-28)23(32)18-2-4-19(25)5-3-18/h2-9,16,26H,10-15H2,1H3/b22-16+
InChIKey SQVJWCWLTFSAAN-CJLVFECKSA-N
Mol Weight 480.5 g/mol
Molecular Formula C24H25FN6O4
Exact Mass 480.192131 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gzh0X1g4OqY
Name 3H-pyrazol-3-one, 4-[[[2-[4-(4-fluorobenzoyl)-1-piperazinyl]ethyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-nitrophenyl)-, (4E)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H25FN6O4/c1-17-22(24(33)30(27-17)20-6-8-21(9-7-20)31(34)35)16-26-10-11-28-12-14-29(15-13-28)23(32)18-2-4-19(25)5-3-18/h2-9,16,26H,10-15H2,1H3/b22-16+
InChIKey SQVJWCWLTFSAAN-CJLVFECKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_201
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11249940