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2-[(4,6-diphenyl-2-pyrimidinyl)sulfanyl]-N-(2-naphthyl)acetamide
SpectraBase Compound ID BdL6hFQYPtf
InChI InChI=1S/C28H21N3OS/c32-27(29-24-16-15-20-9-7-8-14-23(20)17-24)19-33-28-30-25(21-10-3-1-4-11-21)18-26(31-28)22-12-5-2-6-13-22/h1-18H,19H2,(H,29,32)
InChIKey CERHGWMHSHWTCQ-UHFFFAOYSA-N
Mol Weight 447.56 g/mol
Molecular Formula C28H21N3OS
Exact Mass 447.140533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Nh7endi0AU
Name 2-[(4,6-Diphenyl-2-pyrimidinyl)sulfanyl]-N-(2-naphthyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 447.140533481 u
Formula C28H21N3OS
InChI InChI=1S/C28H21N3OS/c32-27(29-24-16-15-20-9-7-8-14-23(20)17-24)19-33-28-30-25(21-10-3-1-4-11-21)18-26(31-28)22-12-5-2-6-13-22/h1-18H,19H2,(H,29,32)
InChIKey CERHGWMHSHWTCQ-UHFFFAOYSA-N
Molecular Weight 447.556 g/mol
SMILES N(C(CSC1=NC(C2=CC=CC=C2)=CC(=N1)C=1C=CC=CC1)=O)C=1C=C2C=CC=CC2=CC1