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Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethyl-
SpectraBase Compound ID 7y06YfCPn07
InChI InChI=1S/C18H19N3OS/c1-9-5-6-13(8-10(9)2)21-17(22)16-15(19)14-11(3)7-12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22)
InChIKey ZQPCHBOEODFGDI-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C18H19N3OS
Exact Mass 325.124883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wlG7Ml7NzR
Name Thieno[2,3-B]pyridine-2-carboxamide, 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 325.124883417 u
Formula C18H19N3OS
InChI InChI=1S/C18H19N3OS/c1-9-5-6-13(8-10(9)2)21-17(22)16-15(19)14-11(3)7-12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22)
InChIKey ZQPCHBOEODFGDI-UHFFFAOYSA-N
Molecular Weight 325.430 g/mol
SMILES C1=2N=C(C=C(C2C(=C(S1)C(NC=1C=C(C(=CC1)C)C)=O)N)C)C