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N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SpectraBase Compound ID HIXI5KCMfzY
InChI InChI=1S/C14H13F3N4O5S/c1-25-11-7-10(19-13(20-11)26-2)21-27(23,24)9-5-3-8(4-6-9)18-12(22)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,20,21)
InChIKey TZQWSBHHVRASSN-UHFFFAOYSA-N
Mol Weight 406.34 g/mol
Molecular Formula C14H13F3N4O5S
Exact Mass 406.055875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNEbRtP81jL
Name N-[4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 406.055875193 u
Formula C14H13F3N4O5S
InChI InChI=1S/C14H13F3N4O5S/c1-25-11-7-10(19-13(20-11)26-2)21-27(23,24)9-5-3-8(4-6-9)18-12(22)14(15,16)17/h3-7H,1-2H3,(H,18,22)(H,19,20,21)
InChIKey TZQWSBHHVRASSN-UHFFFAOYSA-N
Molecular Weight 406.336 g/mol
SMILES COC1=NC(=NC(NS(C2=CC=C(NC(C(F)(F)F)=O)C=C2)(=O)=O)=C1)OC