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(6-Hydroxy-1-methyl-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)(thiophen-2-yl)methanone
SpectraBase Compound ID 8T1SKfEqiVl
InChI InChI=1S/C12H11F3N2O2S2/c1-17-10(20-2)16-6-7(11(17,19)12(13,14)15)9(18)8-4-3-5-21-8/h3-6,19H,1-2H3
InChIKey OVXOLNXFRBIBSU-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C12H11F3N2O2S2
Exact Mass 336.021404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6ugqoMH9Am
Name (6-Hydroxy-1-methyl-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)(thiophen-2-yl)methanone
Appearance Yellow solid
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Formula C12H11F3N2O2S2
InChI InChI=1S/C12H11F3N2O2S2/c1-17-10(20-2)16-6-7(11(17,19)12(13,14)15)9(18)8-4-3-5-21-8/h3-6,19H,1-2H3
InChIKey OVXOLNXFRBIBSU-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 336.347 g/mol
SMILES OC1(C(C(=O)c2sccc2)=CN=C(SC)N1C)C(F)(F)F
SPLASH splash10-001i-0940000000-b4b7dae048c1a306893f
Source of Spectrum U1-2020-5532-3i
Wiley ID 1860902