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3-(3-chlorophenyl)-6-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

View entire compound with spectra: 2 NMR

3-(3-chlorophenyl)-6-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID LKcf1RoElr1
InChI InChI=1S/C18H11ClN2O2S/c19-12-7-4-8-13(9-12)21-17(22)14-10-15(11-5-2-1-3-6-11)24-16(14)20-18(21)23/h1-10H,(H,20,23)
InChIKey OKKNEWPWJUYISU-UHFFFAOYSA-N
Mol Weight 354.81 g/mol
Molecular Formula C18H11ClN2O2S
Exact Mass 354.022976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 985VyyuY5YQ
Name 3-(3-Chlorophenyl)-6-phenylthieno[2,3-D]pyrimidine-2,4(1H,3H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 354.022976474 u
Formula C18H11ClN2O2S
InChI InChI=1S/C18H11ClN2O2S/c19-12-7-4-8-13(9-12)21-17(22)14-10-15(11-5-2-1-3-6-11)24-16(14)20-18(21)23/h1-10H,(H,20,23)
InChIKey OKKNEWPWJUYISU-UHFFFAOYSA-N
Molecular Weight 354.811 g/mol
SMILES N1C(N(C(C=2C=C(SC12)C1=CC=CC=C1)=O)C1=CC(Cl)=CC=C1)=O