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5-{[5-(4-chlorophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID BtW7rRpBGmE
InChI InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)
InChIKey NNWLPFQBLCNFON-UHFFFAOYSA-N
Mol Weight 332.76 g/mol
Molecular Formula C15H9ClN2O3S
Exact Mass 332.002241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJqdkJiaOky
Name 5-{[5-(4-Chlorophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Comments Computed using HOSE algorithm
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Exact Mass 332.002241029 u
Formula C15H9ClN2O3S
InChI InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)
InChIKey NNWLPFQBLCNFON-UHFFFAOYSA-N
SMILES N1C(NC(C(C1=O)=CC=1OC(C=2C=CC(=CC2)Cl)=CC1)=O)=S