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2-thioxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)dihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID CATsUsLx6H5
InChI InChI=1S/C16H9F3N2O3S/c17-16(18,19)9-3-1-2-8(6-9)12-5-4-10(24-12)7-11-13(22)20-15(25)21-14(11)23/h1-7H,(H2,20,21,22,23,25)
InChIKey HLDMCVNWBCPANU-UHFFFAOYSA-N
Mol Weight 366.31 g/mol
Molecular Formula C16H9F3N2O3S
Exact Mass 366.028598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lh6ZSKGNH6T
Name 2-Thioxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)dihydro-4,6(1H,5H)-pyrimidinedione
Comments Computed using HOSE algorithm
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Exact Mass 366.028597818 u
Formula C16H9F3N2O3S
InChI InChI=1S/C16H9F3N2O3S/c17-16(18,19)9-3-1-2-8(6-9)12-5-4-10(24-12)7-11-13(22)20-15(25)21-14(11)23/h1-7H,(H2,20,21,22,23,25)
InChIKey HLDMCVNWBCPANU-UHFFFAOYSA-N
Molecular Weight 366.314 g/mol
SMILES N1C(NC(C(C1=O)=CC=1OC(C2=CC(C(F)(F)F)=CC=C2)=CC1)=O)=S