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5-Chloro-2,4,6-tris(phenylethynyl)pyrimidine
SpectraBase Compound ID 7nOxNHXMNsc
InChI InChI=1S/C28H15ClN2/c29-28-25(19-16-22-10-4-1-5-11-22)30-27(21-18-24-14-8-3-9-15-24)31-26(28)20-17-23-12-6-2-7-13-23/h1-15H
InChIKey SPUPQRYEJVXCBH-UHFFFAOYSA-N
Mol Weight 414.9 g/mol
Molecular Formula C28H15ClN2
Exact Mass 414.092376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 124gu1b9RHg
Name 5-Chloro-2,4,6-tris(phenylethynyl)pyrimidine
Alternate Name(s) 5-Chloranyl-2,4,6-tris(2-phenylethynyl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H15ClN2
InChI InChI=1S/C28H15ClN2/c29-28-25(19-16-22-10-4-1-5-11-22)30-27(21-18-24-14-8-3-9-15-24)31-26(28)20-17-23-12-6-2-7-13-23/h1-15H
InChIKey SPUPQRYEJVXCBH-UHFFFAOYSA-N
Molecular Weight 414.895 g/mol
SMILES C(c1nc(C#Cc2ccccc2)nc(C#Cc2ccccc2)c1Cl)#Cc1ccccc1
SPLASH splash10-0409-0125900000-6a7be8a7da54198eccf2
Source of Spectrum U1-2011-2091-4b
Wiley ID 1665562