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(6-Methyl-2,5-diphenylpyrimidin-4-yl)methyl Benzoate
SpectraBase Compound ID 9LgXzJsucS
InChI InChI=1S/C25H20N2O2/c1-18-23(19-11-5-2-6-12-19)22(17-29-25(28)21-15-9-4-10-16-21)27-24(26-18)20-13-7-3-8-14-20/h2-16H,17H2,1H3
InChIKey CYGBHXUEUFHTJJ-UHFFFAOYSA-N
Mol Weight 380.45 g/mol
Molecular Formula C25H20N2O2
Exact Mass 380.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9At70DlZqvD
Name (6-Methyl-2,5-diphenylpyrimidin-4-yl)methyl Benzoate
Appearance White amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N2O2
InChI InChI=1S/C25H20N2O2/c1-18-23(19-11-5-2-6-12-19)22(17-29-25(28)21-15-9-4-10-16-21)27-24(26-18)20-13-7-3-8-14-20/h2-16H,17H2,1H3
InChIKey CYGBHXUEUFHTJJ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/jo400090w
Molecular Weight 380.447 g/mol
Quality 102
SMILES C1(=C(C(=NC(=N1)C1=CC=CC=C1)C)C1=CC=CC=C1)COC(C1=CC=CC=C1)=O
SPLASH splash10-004i-1391000000-a3306e3a7ba7c171a997
Source of Spectrum JOC-78-3461-11aa (DOI: 10.1021/jo400090w)
Wiley ID 1912482