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ethyl 4-(5-(p-tolyl)pyrimidin-2-yl)benzoate
SpectraBase Compound ID 3Ixuclhc6UC
InChI InChI=1S/C20H18N2O2/c1-3-24-20(23)17-10-8-16(9-11-17)19-21-12-18(13-22-19)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3
InChIKey BOSGLTBGKQLKEY-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOUldGRm60
Name ethyl 4-(5-(p-tolyl)pyrimidin-2-yl)benzoate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.136827826 u
Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c1-3-24-20(23)17-10-8-16(9-11-17)19-21-12-18(13-22-19)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3
InChIKey BOSGLTBGKQLKEY-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202210491
Molecular Weight 318.376 g/mol
Quality 104
Reported Formula C20H18N2O2
SMILES C(C)OC(C1=CC=C(C=C1)C1=NC=C(C=N1)C1=CC=C(C=C1)C)=O
SPLASH splash10-01b9-0297000000-8d13a680a77899059178
Source of Spectrum ACI-61-SM55-7d (DOI: 10.1002/anie.202210491)
Wiley ID 1899490