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ethyl 4-{2-[(4-bromoanilino)carbonyl]anilino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylate
SpectraBase Compound ID 3KLEHxHWNVA
InChI InChI=1S/C25H23BrN6O3/c1-4-35-24(34)20-14-27-25(32-16(3)13-15(2)31-32)30-22(20)29-21-8-6-5-7-19(21)23(33)28-18-11-9-17(26)10-12-18/h5-14H,4H2,1-3H3,(H,28,33)(H,27,29,30)
InChIKey FHXVWLYIXYJGGH-UHFFFAOYSA-N
Mol Weight 535.4 g/mol
Molecular Formula C25H23BrN6O3
Exact Mass 534.101502 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AunEX4WjEzt
Name ethyl 4-{2-[(4-bromoanilino)carbonyl]anilino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylate
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/C25H23BrN6O3/c1-4-35-24(34)20-14-27-25(32-16(3)13-15(2)31-32)30-22(20)29-21-8-6-5-7-19(21)23(33)28-18-11-9-17(26)10-12-18/h5-14H,4H2,1-3H3,(H,28,33)(H,27,29,30)
InChIKey FHXVWLYIXYJGGH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21866
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: D55863; Labnumber: RNM-0888; SBI_ID: SBI-021870
Temperature 315 °C