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Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-4,6-dimethyl-, (3-trifluoromethylphenyl)amide
SpectraBase Compound ID 6cncsZoBY4M
InChI InChI=1S/C17H14F3N3OS/c1-8-6-9(2)22-16-12(8)13(21)14(25-16)15(24)23-11-5-3-4-10(7-11)17(18,19)20/h3-7H,21H2,1-2H3,(H,23,24)
InChIKey WUQJNJNGHXRLFN-UHFFFAOYSA-N
Mol Weight 365.37 g/mol
Molecular Formula C17H14F3N3OS
Exact Mass 365.080968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QdaSPDkGu8
Name Thieno[2,3-B]pyridine-2-carboxylic acid, 3-amino-4,6-dimethyl-, (3-trifluoromethylphenyl)amide
Comments Computed using HOSE algorithm
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Exact Mass 365.080967745 u
Formula C17H14F3N3OS
InChI InChI=1S/C17H14F3N3OS/c1-8-6-9(2)22-16-12(8)13(21)14(25-16)15(24)23-11-5-3-4-10(7-11)17(18,19)20/h3-7H,21H2,1-2H3,(H,23,24)
InChIKey WUQJNJNGHXRLFN-UHFFFAOYSA-N
Molecular Weight 365.374 g/mol
SMILES C1(=C(C2=C(C=C(C)N=C2S1)C)N)C(NC1=CC=CC(C(F)(F)F)=C1)=O