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(1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-iodophenyl)methanone
SpectraBase Compound ID F3gvwWCIEJT
InChI InChI=1S/C15H14F3IN2O2S/c1-3-21-13(24-2)20-8-11(14(21,23)15(16,17)18)12(22)9-4-6-10(19)7-5-9/h4-8,23H,3H2,1-2H3
InChIKey OOMVGRWOOZWTLF-UHFFFAOYSA-N
Mol Weight 470.25 g/mol
Molecular Formula C15H14F3IN2O2S
Exact Mass 469.977278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnXOuLNIg8f
Name (1-Ethyl-6-hydroxy-2-(methylthio)-6-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl) (4-iodophenyl)methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F3IN2O2S
InChI InChI=1S/C15H14F3IN2O2S/c1-3-21-13(24-2)20-8-11(14(21,23)15(16,17)18)12(22)9-4-6-10(19)7-5-9/h4-8,23H,3H2,1-2H3
InChIKey OOMVGRWOOZWTLF-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 470.249 g/mol
SMILES OC1(C(C(=O)c2ccc(cc2)I)=CN=C(SC)N1CC)C(F)(F)F
SPLASH splash10-0udi-0510900000-6f069d6225acc037ed86
Source of Spectrum U1-2020-5533-3q
Wiley ID 1860910