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Methanone, (3-amino-4,6-diphenylthieno[2,3-B]pyridin-2-yl)(4-chlorophenyl)-
SpectraBase Compound ID 4daXhbV1T5l
InChI InChI=1S/C26H17ClN2OS/c27-19-13-11-18(12-14-19)24(30)25-23(28)22-20(16-7-3-1-4-8-16)15-21(29-26(22)31-25)17-9-5-2-6-10-17/h1-15H,28H2
InChIKey AHBKPFBBTKQWHW-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C26H17ClN2OS
Exact Mass 440.075012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pfxzHTNqQd
Name Methanone, (3-amino-4,6-diphenylthieno[2,3-B]pyridin-2-yl)(4-chlorophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 440.075012048 u
Formula C26H17ClN2OS
InChI InChI=1S/C26H17ClN2OS/c27-19-13-11-18(12-14-19)24(30)25-23(28)22-20(16-7-3-1-4-8-16)15-21(29-26(22)31-25)17-9-5-2-6-10-17/h1-15H,28H2
InChIKey AHBKPFBBTKQWHW-UHFFFAOYSA-N
Molecular Weight 440.948 g/mol
SMILES NC=1C=2C(=CC(=NC2SC1C(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1)C=1C=CC=CC1