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Thieno[2,3-b]pyridine-2-carboxamide, 3-(benzoylamino)-N,4,6-trimethyl-N-phenyl-
SpectraBase Compound ID ETj4DboMJdA
InChI InChI=1S/C24H21N3O2S/c1-15-14-16(2)25-23-19(15)20(26-22(28)17-10-6-4-7-11-17)21(30-23)24(29)27(3)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,26,28)
InChIKey OQIOHDCZLLFBDU-UHFFFAOYSA-N
Mol Weight 415.51 g/mol
Molecular Formula C24H21N3O2S
Exact Mass 415.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiXLPVlBKP3
Name Thieno[2,3-B]pyridine-2-carboxamide, 3-(benzoylamino)-N,4,6-trimethyl-N-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 415.135448100 u
Formula C24H21N3O2S
InChI InChI=1S/C24H21N3O2S/c1-15-14-16(2)25-23-19(15)20(26-22(28)17-10-6-4-7-11-17)21(30-23)24(29)27(3)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,26,28)
InChIKey OQIOHDCZLLFBDU-UHFFFAOYSA-N
Molecular Weight 415.511 g/mol
SMILES C1(=C(C=2C(=CC(=NC2S1)C)C)NC(=O)C=1C=CC=CC1)C(N(C=1C=CC=CC1)C)=O