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4-chloro-N-(4-(2-hydroxy-6-(4-methoxyphenyl)pyrimidin-4-yl)phenyl)benzamide
SpectraBase Compound ID 3HXK1Hhg4Fj
InChI InChI=1S/C24H18ClN3O3/c1-31-20-12-6-16(7-13-20)22-14-21(27-24(30)28-22)15-4-10-19(11-5-15)26-23(29)17-2-8-18(25)9-3-17/h2-14H,1H3,(H,26,29)(H,27,28,30)
InChIKey SIMFTXCAUFEMQF-UHFFFAOYSA-N
Mol Weight 431.88 g/mol
Molecular Formula C24H18ClN3O3
Exact Mass 431.103669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmUNmW9cEQi
Name 4-chloro-N-(4-(2-hydroxy-6-(4-methoxyphenyl)pyrimidin-4-yl)phenyl)benzamide
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18ClN3O3
InChI InChI=1S/C24H18ClN3O3/c1-31-20-12-6-16(7-13-20)22-14-21(27-24(30)28-22)15-4-10-19(11-5-15)26-23(29)17-2-8-18(25)9-3-17/h2-14H,1H3,(H,26,29)(H,27,28,30)
InChIKey SIMFTXCAUFEMQF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200231
Molecular Weight 431.879 g/mol
SMILES N(C(c1ccc(Cl)cc1)=O)c1ccc(-c2nc(nc(c2)-c2ccc(cc2)OC)O)cc1
SPLASH splash10-0a4r-9600000000-ff7b3b5eab6a318c5b3a
Source of Spectrum CBD-19-SM71-4x
Wiley ID 1882727