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5H-pyrrolo[3,4-b]pyridine-6-butanamide, 6,7-dihydro-5,7-dioxo-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-
SpectraBase Compound ID 3xSonppkOK0
InChI InChI=1S/C21H21N3O3/c25-18(23-17-10-3-7-14-6-1-2-8-15(14)17)11-5-13-24-20(26)16-9-4-12-22-19(16)21(24)27/h3-4,7,9-10,12H,1-2,5-6,8,11,13H2,(H,23,25)
InChIKey VUMBFCRYGCUCOD-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDfHcsGbDVn
Name 5H-Pyrrolo[3,4-B]pyridine-6-butanamide, 6,7-dihydro-5,7-dioxo-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.158291545 u
Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c25-18(23-17-10-3-7-14-6-1-2-8-15(14)17)11-5-13-24-20(26)16-9-4-12-22-19(16)21(24)27/h3-4,7,9-10,12H,1-2,5-6,8,11,13H2,(H,23,25)
InChIKey VUMBFCRYGCUCOD-UHFFFAOYSA-N
Molecular Weight 363.417 g/mol
SMILES N(C1=C2C(CCCC2)=CC=C1)C(CCCN1C(C2=CC=CN=C2C1=O)=O)=O