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Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-(2-iodophenyl)-4,6-dimethyl-
SpectraBase Compound ID Jg55Ieuj7Cd
InChI InChI=1S/C16H14IN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-6-4-3-5-10(11)17/h3-7H,18H2,1-2H3,(H,20,21)
InChIKey OJCKXRSLTZHGLU-UHFFFAOYSA-N
Mol Weight 423.27 g/mol
Molecular Formula C16H14IN3OS
Exact Mass 422.990228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8q4M5rjtpM
Name Thieno[2,3-B]pyridine-2-carboxamide, 3-amino-N-(2-iodophenyl)-4,6-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 422.990228256 u
Formula C16H14IN3OS
InChI InChI=1S/C16H14IN3OS/c1-8-7-9(2)19-16-12(8)13(18)14(22-16)15(21)20-11-6-4-3-5-10(11)17/h3-7H,18H2,1-2H3,(H,20,21)
InChIKey OJCKXRSLTZHGLU-UHFFFAOYSA-N
Molecular Weight 423.272 g/mol
SMILES C1=2N=C(C=C(C2C(=C(S1)C(NC=1C(=CC=CC1)I)=O)N)C)C