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benzoic acid, 2-[[[5-[(2-fluorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID gNj9I9CVnt
InChI InChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)
InChIKey CVCLUROFBXARNB-UHFFFAOYSA-N
Mol Weight 458.45 g/mol
Molecular Formula C25H19FN4O4
Exact Mass 458.139033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5t5cAeuXMmE
Name benzoic acid, 2-[[[5-[(2-fluorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl]carbonyl]amino]-, methyl 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 458.139033267 u
Formula C25H19FN4O4
InChI InChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)
InChIKey CVCLUROFBXARNB-UHFFFAOYSA-N
Molecular Weight 458.449 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15083
Solvent DMSO-d6
Source Vendor ID: NMR/10311623; Lab Info: DEC; Lab Number: DEC-S000234