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(1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-fluorophenyl)methanone
SpectraBase Compound ID 9V1Nt9dBBoM
InChI InChI=1S/C15H14F4N2O2S/c1-3-21-13(24-2)20-8-11(14(21,23)15(17,18)19)12(22)9-4-6-10(16)7-5-9/h4-8,23H,3H2,1-2H3
InChIKey DUMDBUXBOZMAGG-UHFFFAOYSA-N
Mol Weight 362.34 g/mol
Molecular Formula C15H14F4N2O2S
Exact Mass 362.071212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FihLVKAbJQ
Name (1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-fluorophenyl)methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F4N2O2S
InChI InChI=1S/C15H14F4N2O2S/c1-3-21-13(24-2)20-8-11(14(21,23)15(17,18)19)12(22)9-4-6-10(16)7-5-9/h4-8,23H,3H2,1-2H3
InChIKey DUMDBUXBOZMAGG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 362.343 g/mol
SMILES OC1(C(C(=O)c2ccc(cc2)F)=CN=C(SC)N1CC)C(F)(F)F
SPLASH splash10-006y-1960000000-6e0fcc583b0ebbf2c2f0
Source of Spectrum U1-2020-5533-3p
Wiley ID 1860909