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2-Anilino-5-(3-bromobenzyl)-6-hydroxy-3-phenyl-4(3H)-pyrimidinone

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Anilino-5-(3-bromobenzyl)-6-hydroxy-3-phenyl-4(3H)-pyrimidinone
SpectraBase Compound ID 4LCfcfWJWTN
InChI InChI=1S/C23H18BrN3O2/c24-17-9-7-8-16(14-17)15-20-21(28)26-23(25-18-10-3-1-4-11-18)27(22(20)29)19-12-5-2-6-13-19/h1-14,28H,15H2,(H,25,26)
InChIKey KFJVHRVFRFAJTK-UHFFFAOYSA-N
Mol Weight 448.32 g/mol
Molecular Formula C23H18BrN3O2
Exact Mass 447.05824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOUo9OAeRPU
Name 4(3H)-pyrimidinone, 5-[(3-bromophenyl)methyl]-6-hydroxy-3-phenyl-2-(phenylamino)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.058239830 u
Formula C23H18BrN3O2
InChI InChI=1S/C23H18BrN3O2/c24-17-9-7-8-16(14-17)15-20-21(28)26-23(25-18-10-3-1-4-11-18)27(22(20)29)19-12-5-2-6-13-19/h1-14,28H,15H2,(H,25,26)
InChIKey KFJVHRVFRFAJTK-UHFFFAOYSA-N
Molecular Weight 448.320 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6212
Solvent DMSO-d6
Source Vendor ID: NMR/10220762; Lab Info: LP; Lab Number: LP-3701160