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N-(3,5-dimethylphenyl)-2-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(3,5-dimethylphenyl)-2-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide
SpectraBase Compound ID 9AlRGlauINk
InChI InChI=1S/C15H14F3N3O2S/c1-8-3-9(2)5-10(4-8)19-13(23)7-24-14-20-11(15(16,17)18)6-12(22)21-14/h3-6H,7H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKey MWYPNUKUCSQFGX-UHFFFAOYSA-N
Mol Weight 357.35 g/mol
Molecular Formula C15H14F3N3O2S
Exact Mass 357.075882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Qr11B5Ji4n
Name N-(3,5-Dimethylphenyl)-2-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
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Exact Mass 357.075882364 u
Formula C15H14F3N3O2S
InChI InChI=1S/C15H14F3N3O2S/c1-8-3-9(2)5-10(4-8)19-13(23)7-24-14-20-11(15(16,17)18)6-12(22)21-14/h3-6H,7H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKey MWYPNUKUCSQFGX-UHFFFAOYSA-N
Molecular Weight 357.351 g/mol
SMILES N(C=1C=C(C)C=C(C1)C)C(CSC1=NC(=CC(=N1)O)C(F)(F)F)=O