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Ethyl 6-methyl-3,4-diphenylpyrido[2',3':4,5]thieno[2,3-c]pyridazine-7-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ethyl 6-methyl-3,4-diphenylpyrido[2',3':4,5]thieno[2,3-c]pyridazine-7-carboxylate
SpectraBase Compound ID 6etf6qBpxMO
InChI InChI=1S/C25H19N3O2S/c1-3-30-25(29)18-14-19-23(26-15(18)2)21-20(16-10-6-4-7-11-16)22(27-28-24(21)31-19)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3
InChIKey YOCLBJBBHSVEKV-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C25H19N3O2S
Exact Mass 425.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ4AXQAM4MD
Name Ethyl 6-methyl-3,4-diphenylpyrido[2',3':4,5]thieno[2,3-C]pyridazine-7-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 425.119798036 u
Formula C25H19N3O2S
InChI InChI=1S/C25H19N3O2S/c1-3-30-25(29)18-14-19-23(26-15(18)2)21-20(16-10-6-4-7-11-16)22(27-28-24(21)31-19)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3
InChIKey YOCLBJBBHSVEKV-UHFFFAOYSA-N
Molecular Weight 425.506 g/mol
SMILES C1=2C3=NC(C)=C(C=C3SC1=NN=C(C2C=1C=CC=CC1)C1=CC=CC=C1)C(=O)OCC