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Ethyl 4-[2-(4-methoxybenzyl)pyrimidin-4-yl]benzoate
SpectraBase Compound ID LAyXSmpwqir
InChI InChI=1S/C21H20N2O3/c1-3-26-21(24)17-8-6-16(7-9-17)19-12-13-22-20(23-19)14-15-4-10-18(25-2)11-5-15/h4-13H,3,14H2,1-2H3
InChIKey GXECMLUHGYMEBE-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpdGOVWKsva
Name Ethyl 4-[2-(4-methoxybenzyl)pyrimidin-4-yl]benzoate
Alternate Name(s) Ethyl 4-(2-(4-methoxybenzyl)pyrimidin-4-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c1-3-26-21(24)17-8-6-16(7-9-17)19-12-13-22-20(23-19)14-15-4-10-18(25-2)11-5-15/h4-13H,3,14H2,1-2H3
InChIKey GXECMLUHGYMEBE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9017003
Molecular Weight 348.402 g/mol
SMILES c1c(C(OCC)=O)ccc(c1)-c1ccnc(Cc2ccc(cc2)OC)n1
SPLASH splash10-0002-0009000000-42cc460587896848a921
Source of Spectrum A1-11-4228/SM20-5j
Wiley ID 1757471