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N-(4-acetylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzamide
SpectraBase Compound ID KnO61JTE0hx
InChI InChI=1S/C22H15N3O4/c1-13(26)14-4-8-16(9-5-14)24-20(27)15-6-10-17(11-7-15)25-21(28)18-3-2-12-23-19(18)22(25)29/h2-12H,1H3,(H,24,27)
InChIKey KGULXBWUEFIXED-UHFFFAOYSA-N
Mol Weight 385.38 g/mol
Molecular Formula C22H15N3O4
Exact Mass 385.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBpGt6eNcoF
Name N-(4-Acetylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-B]pyridin-6-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.106255971 u
Formula C22H15N3O4
InChI InChI=1S/C22H15N3O4/c1-13(26)14-4-8-16(9-5-14)24-20(27)15-6-10-17(11-7-15)25-21(28)18-3-2-12-23-19(18)22(25)29/h2-12H,1H3,(H,24,27)
InChIKey KGULXBWUEFIXED-UHFFFAOYSA-N
Molecular Weight 385.379 g/mol
SMILES N(C(C=1C=CC(N2C(C=3C=CC=NC3C2=O)=O)=CC1)=O)C1=CC=C(C(=O)C)C=C1