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3-C-(4-fluorobenzene)-2-N,4,6-trimethyl-2-N-phenylthieno[2,3-b]pyridine-2,3-diamido
SpectraBase Compound ID F3A7GbPHd4a
InChI InChI=1S/C24H20FN3O2S/c1-14-13-15(2)26-23-19(14)20(27-22(29)16-9-11-17(25)12-10-16)21(31-23)24(30)28(3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,27,29)
InChIKey JNFFRZXVSPFHNZ-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C24H20FN3O2S
Exact Mass 433.126026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuuOs3WiEbg
Name 3-C-(4-Fluorobenzene)-2-N,4,6-trimethyl-2-N-phenylthieno[2,3-B]pyridine-2,3-diamido
Comments Computed using HOSE algorithm
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Exact Mass 433.126026231 u
Formula C24H20FN3O2S
InChI InChI=1S/C24H20FN3O2S/c1-14-13-15(2)26-23-19(14)20(27-22(29)16-9-11-17(25)12-10-16)21(31-23)24(30)28(3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,27,29)
InChIKey JNFFRZXVSPFHNZ-UHFFFAOYSA-N
Molecular Weight 433.501 g/mol
SMILES C1(=C(C=2C(=CC(=NC2S1)C)C)NC(C=1C=CC(=CC1)F)=O)C(N(C1=CC=CC=C1)C)=O