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2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-hydroxy-2,3-dihydro-4(1H)-quinazolinone
SpectraBase Compound ID AfU05IoUWu6
InChI InChI=1S/C21H21BrN4O3/c1-12-19(22)13(2)25(24-12)11-15-10-14(8-9-18(15)29-3)20-23-17-7-5-4-6-16(17)21(27)26(20)28/h4-10,20,23,28H,11H2,1-3H3
InChIKey CDWPYLXWGJOSFV-UHFFFAOYSA-N
Mol Weight 457.33 g/mol
Molecular Formula C21H21BrN4O3
Exact Mass 456.079704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KMVSmBwSs37
Name 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-hydroxy-2,3-dihydro-4(1H)-quinazolinone
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/C21H21BrN4O3/c1-12-19(22)13(2)25(24-12)11-15-10-14(8-9-18(15)29-3)20-23-17-7-5-4-6-16(17)21(27)26(20)28/h4-10,20,23,28H,11H2,1-3H3
InChIKey CDWPYLXWGJOSFV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14801
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: UZI/1020207; UBI_ID: UBI-014804
Temperature 308 °C