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5H-pyrrolo[3,4-b]pyridine-6-butanamide, N-(2,3-dimethylphenyl)-6,7-dihydro-5,7-dioxo-
SpectraBase Compound ID I39LE8CQkhn
InChI InChI=1S/C19H19N3O3/c1-12-6-3-8-15(13(12)2)21-16(23)9-5-11-22-18(24)14-7-4-10-20-17(14)19(22)25/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,21,23)
InChIKey LFRQJSKYIHSSNG-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C19H19N3O3
Exact Mass 337.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LWmCDKg58g
Name 5H-Pyrrolo[3,4-B]pyridine-6-butanamide, N-(2,3-dimethylphenyl)-6,7-dihydro-5,7-dioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.142641481 u
Formula C19H19N3O3
InChI InChI=1S/C19H19N3O3/c1-12-6-3-8-15(13(12)2)21-16(23)9-5-11-22-18(24)14-7-4-10-20-17(14)19(22)25/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,21,23)
InChIKey LFRQJSKYIHSSNG-UHFFFAOYSA-N
Molecular Weight 337.379 g/mol
SMILES N(C1=C(C(C)=CC=C1)C)C(CCCN1C(C2=CC=CN=C2C1=O)=O)=O