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4-phenyl-5-(2-thenoyl)-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
SpectraBase Compound ID 6SPVNbmVa9c
InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)14-11(13(22)10-7-4-8-24-10)12(20-15(23)21-14)9-5-2-1-3-6-9/h1-8,12H,(H2,20,21,23)
InChIKey CZXFCNPAEPJRBO-UHFFFAOYSA-N
Mol Weight 352.33 g/mol
Molecular Formula C16H11F3N2O2S
Exact Mass 352.049333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTQB3EdlO2K
Name 4-phenyl-5-(2-thenoyl)-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
Alternate Name(s) 4-phenyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one 4-phenyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one 5-[oxo(thiophen-2-yl)methyl]-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N2O2S
InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)14-11(13(22)10-7-4-8-24-10)12(20-15(23)21-14)9-5-2-1-3-6-9/h1-8,12H,(H2,20,21,23)
InChIKey CZXFCNPAEPJRBO-UHFFFAOYSA-N
Molecular Weight 352.331 g/mol
SMILES N1C(NC(C(=C1C(F)(F)F)C(c1sccc1)=O)c1ccccc1)=O
SPLASH splash10-03di-0901000000-d732cb497580723d0865
Source of Spectrum J-65-3867-7
Wiley ID 1532330