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3-(3,3-dimethylbutanamido)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(3,3-dimethylbutanamido)-N,4,6-trimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID 7kGT1krZptW
InChI InChI=1S/C23H27N3O2S/c1-14-12-15(2)24-21-18(14)19(25-17(27)13-23(3,4)5)20(29-21)22(28)26(6)16-10-8-7-9-11-16/h7-12H,13H2,1-6H3,(H,25,27)
InChIKey WIQZBAYWEQFGCE-UHFFFAOYSA-N
Mol Weight 409.55 g/mol
Molecular Formula C23H27N3O2S
Exact Mass 409.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZS0Cm9ZqNF
Name 3-(3,3-Dimethylbutanamido)-N,4,6-trimethyl-N-phenylthieno[2,3-B]pyridine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.182398293 u
Formula C23H27N3O2S
InChI InChI=1S/C23H27N3O2S/c1-14-12-15(2)24-21-18(14)19(25-17(27)13-23(3,4)5)20(29-21)22(28)26(6)16-10-8-7-9-11-16/h7-12H,13H2,1-6H3,(H,25,27)
InChIKey WIQZBAYWEQFGCE-UHFFFAOYSA-N
Molecular Weight 409.548 g/mol
SMILES C1(=C(C=2C(=CC(=NC2S1)C)C)NC(=O)CC(C)(C)C)C(N(C1=CC=CC=C1)C)=O