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2,5-Dichloro-4-[(3-methoxyphenyl)ethynyl]-6-(p-tolyl)pyrimidine
SpectraBase Compound ID CkO4VHPEuUa
InChI InChI=1S/C20H14Cl2N2O/c1-13-6-9-15(10-7-13)19-18(21)17(23-20(22)24-19)11-8-14-4-3-5-16(12-14)25-2/h3-7,9-10,12H,1-2H3
InChIKey WBQGRWQMPBSUHA-UHFFFAOYSA-N
Mol Weight 369.25 g/mol
Molecular Formula C20H14Cl2N2O
Exact Mass 368.048318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dx2m8ur6ejJ
Name 2,5-Dichloro-4-[(3-methoxyphenyl)ethynyl]-6-(p-tolyl)pyrimidine
Alternate Name(s) 2,5-Dichloro-4-[2-(3-methoxyphenyl)ethynyl]-6-(4-methylphenyl)pyrimidine 2,5-bis(chloranyl)-4-[2-(3-methoxyphenyl)ethynyl]-6-(4-methylphenyl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14Cl2N2O
InChI InChI=1S/C20H14Cl2N2O/c1-13-6-9-15(10-7-13)19-18(21)17(23-20(22)24-19)11-8-14-4-3-5-16(12-14)25-2/h3-7,9-10,12H,1-2H3
InChIKey WBQGRWQMPBSUHA-UHFFFAOYSA-N
Molecular Weight 369.251 g/mol
SMILES c1(c(c(C#Cc2cc(OC)ccc2)nc(n1)Cl)Cl)-c1ccc(cc1)C
SPLASH splash10-01b9-0219000000-fc4cb997f380a7ba7828
Source of Spectrum U1-2011-2092-8
Wiley ID 1665553