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Ethyl 4-{4-[(4-cyanophenyl)(hydroxy)methyl]-6-phenyl-1,3,5-triazin-2-yl} benzoate
SpectraBase Compound ID E6mav1VmSKz
InChI InChI=1S/C26H20N4O3/c1-2-33-26(32)21-14-12-20(13-15-21)24-28-23(19-6-4-3-5-7-19)29-25(30-24)22(31)18-10-8-17(16-27)9-11-18/h3-15,22,31H,2H2,1H3
InChIKey VKNSAJULEMAUKO-UHFFFAOYSA-N
Mol Weight 436.47 g/mol
Molecular Formula C26H20N4O3
Exact Mass 436.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uFFa2Gd77z
Name Ethyl 4-{4-[(4-cyanophenyl)(hydroxy)methyl]-6-phenyl-1,3,5-triazin-2-yl} benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N4O3
InChI InChI=1S/C26H20N4O3/c1-2-33-26(32)21-14-12-20(13-15-21)24-28-23(19-6-4-3-5-7-19)29-25(30-24)22(31)18-10-8-17(16-27)9-11-18/h3-15,22,31H,2H2,1H3
InChIKey VKNSAJULEMAUKO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102173z
Molecular Weight 436.471 g/mol
SMILES OC(c1nc(-c2ccc(cc2)C(=O)OCC)nc(-c2ccccc2)n1)c1ccc(cc1)C#N
SPLASH splash10-0f80-0601900000-17d1e52464ce8337e536
Source of Spectrum A1-12-5398/SMS19-5i
Synonyms Ethyl 4-(4-((4-cyanophenyl)(hydroxy)methyl)-6-phenyl-1,3,5-triazin-2-yl)benzoate
Wiley ID 1752659