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6-(4-Chlorophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2(1H)-one
SpectraBase Compound ID 9A3okFOI9MZ
InChI InChI=1S/C12H8ClF3N2O/c1-18-9(7-2-4-8(13)5-3-7)6-10(12(14,15)16)17-11(18)19/h2-6H,1H3
InChIKey KMHUPPFOCGRFAF-UHFFFAOYSA-N
Mol Weight 288.66 g/mol
Molecular Formula C12H8ClF3N2O
Exact Mass 288.027725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCubPO66QdK
Name 6-(4-Chlorophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClF3N2O
InChI InChI=1S/C12H8ClF3N2O/c1-18-9(7-2-4-8(13)5-3-7)6-10(12(14,15)16)17-11(18)19/h2-6H,1H3
InChIKey KMHUPPFOCGRFAF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.6b00382
Molecular Weight 288.657 g/mol
SMILES C1(N=C(C=C(N1C)c1ccc(cc1)Cl)C(F)(F)F)=O
SPLASH splash10-000i-0390000000-064d2e976342a3e0b78b
Source of Spectrum J-81-3732-6e
Wiley ID 1804492