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3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-B]pyridine-2-carboxamide, tms

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3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-B]pyridine-2-carboxamide, tms
SpectraBase Compound ID Aj5Lfij0jr1
InChI InChI=1S/C21H27N3OSSi/c1-13-12-14(2)22-21-17(13)18(24-27(4,5)6)19(26-21)20(25)23-15(3)16-10-8-7-9-11-16/h7-12,15,24H,1-6H3,(H,23,25)
InChIKey VOKLUKNZGQOUHH-UHFFFAOYSA-N
Mol Weight 397.61 g/mol
Molecular Formula C21H27N3OSSi
Exact Mass 397.16441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BFk7bXutrE
Name 3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-B]pyridine-2-carboxamide, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.164410209 u
Formula C21H27N3OSSi
InChI InChI=1S/C21H27N3OSSi/c1-13-12-14(2)22-21-17(13)18(24-27(4,5)6)19(26-21)20(25)23-15(3)16-10-8-7-9-11-16/h7-12,15,24H,1-6H3,(H,23,25)
InChIKey VOKLUKNZGQOUHH-UHFFFAOYSA-N
Molecular Weight 397.612 g/mol
SMILES C1=2SC(=C(C1=C(C=C(N2)C)C)N[Si](C)(C)C)C(=O)NC(C)C1=CC=CC=C1