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4-[4-(hydroxy-phenyl-methyl)-6-phenyl-[1,3,5]triazin-2-yl]-benzoic acid ethyl ester
SpectraBase Compound ID EnLlX7wXeU7
InChI InChI=1S/C25H21N3O3/c1-2-31-25(30)20-15-13-19(14-16-20)23-26-22(18-11-7-4-8-12-18)27-24(28-23)21(29)17-9-5-3-6-10-17/h3-16,21,29H,2H2,1H3
InChIKey IEEOMZIIBHKOBH-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C25H21N3O3
Exact Mass 411.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rIXyWDKJpu
Name 4-[4-(hydroxy-phenyl-methyl)-6-phenyl-[1,3,5]triazin-2-yl]-benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N3O3
InChI InChI=1S/C25H21N3O3/c1-2-31-25(30)20-15-13-19(14-16-20)23-26-22(18-11-7-4-8-12-18)27-24(28-23)21(29)17-9-5-3-6-10-17/h3-16,21,29H,2H2,1H3
InChIKey IEEOMZIIBHKOBH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102173z
Molecular Weight 411.461 g/mol
SMILES OC(c1nc(-c2ccc(cc2)C(=O)OCC)nc(-c2ccccc2)n1)c1ccccc1
SPLASH splash10-0bt9-0927800000-e8b50cb35db5ac381e12
Source of Spectrum A1-12-5398/SMS18-5h
Synonyms Ethyl 4-(4-(hydroxy(phenyl)methyl)-6-phenyl-1,3,5-triazin-2-yl)benzoate
Wiley ID 1752658