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5-Chloro-2,4-di(pent-1-ynyl)-6-(p-tolyl)pyrimidine
SpectraBase Compound ID 9z6peZVNCO7
InChI InChI=1S/C21H21ClN2/c1-4-6-8-10-18-20(22)21(17-14-12-16(3)13-15-17)24-19(23-18)11-9-7-5-2/h12-15H,4-7H2,1-3H3
InChIKey GGMKEFMQHSNJOF-UHFFFAOYSA-N
Mol Weight 336.87 g/mol
Molecular Formula C21H21ClN2
Exact Mass 336.139326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1cetbW9BKa
Name 5-Chloro-2,4-di(pent-1-ynyl)-6-(p-tolyl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN2
InChI InChI=1S/C21H21ClN2/c1-4-6-8-10-18-20(22)21(17-14-12-16(3)13-15-17)24-19(23-18)11-9-7-5-2/h12-15H,4-7H2,1-3H3
InChIKey GGMKEFMQHSNJOF-UHFFFAOYSA-N
Molecular Weight 336.866 g/mol
SMILES c1(c(c(C#CCCC)nc(n1)C#CCCC)Cl)-c1ccc(cc1)C
SPLASH splash10-0a4i-0029000000-3da0d3c68cc7095fa5d1
Source of Spectrum U1-2011-2093-9
Synonyms 5-Chloro-4-(4-methylphenyl)-2,6-bis(pent-1-ynyl)pyrimidine 5-Chloranyl-4-(4-methylphenyl)-2,6-bis(pent-1-ynyl)pyrimidine
Wiley ID 1665552