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2-Phenyl-5-propargyl-4,6-bis(4-tolyl)pyrimidine
SpectraBase Compound ID Kq3ULgavqjo
InChI InChI=1S/C27H22N2/c1-4-8-24-25(21-15-11-19(2)12-16-21)28-27(23-9-6-5-7-10-23)29-26(24)22-17-13-20(3)14-18-22/h1,5-7,9-18H,8H2,2-3H3
InChIKey AIZPPIGXCJZSBE-UHFFFAOYSA-N
Mol Weight 374.49 g/mol
Molecular Formula C27H22N2
Exact Mass 374.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LshfsLRTVyO
Name 2-Phenyl-5-propargyl-4,6-bis(4-tolyl)pyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2
InChI InChI=1S/C27H22N2/c1-4-8-24-25(21-15-11-19(2)12-16-21)28-27(23-9-6-5-7-10-23)29-26(24)22-17-13-20(3)14-18-22/h1,5-7,9-18H,8H2,2-3H3
InChIKey AIZPPIGXCJZSBE-UHFFFAOYSA-N
Molecular Weight 374.487 g/mol
SMILES c1(nc(c(c(n1)-c1ccc(cc1)C)CC#C)-c1ccc(cc1)C)-c1ccccc1
SPLASH splash10-00di-0009000000-4a7b934064f21ba884f3
Source of Spectrum SO-0-137-6
Synonyms 4,6-bis(4-methylphenyl)-2-phenyl-5-(2-propynyl)pyrimidine
Wiley ID 873249