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3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(p-tolyl)benzamide

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3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(p-tolyl)benzamide
SpectraBase Compound ID JYKcGK7Ykpb
InChI InChI=1S/C22H15N3O5/c1-13-8-10-15(11-9-13)23-20(26)14-4-2-5-16(12-14)24-21(27)17-6-3-7-18(25(29)30)19(17)22(24)28/h2-12H,1H3,(H,23,26)
InChIKey ULJNXWJHTDUSAS-UHFFFAOYSA-N
Mol Weight 401.38 g/mol
Molecular Formula C22H15N3O5
Exact Mass 401.101171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eXUdZcnfJ7
Name 3-(1,3-Diketo-4-nitro-isoindolin-2-yl)-N-(p-tolyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.101170590 u
Formula C22H15N3O5
InChI InChI=1S/C22H15N3O5/c1-13-8-10-15(11-9-13)23-20(26)14-4-2-5-16(12-14)24-21(27)17-6-3-7-18(25(29)30)19(17)22(24)28/h2-12H,1H3,(H,23,26)
InChIKey ULJNXWJHTDUSAS-UHFFFAOYSA-N
Molecular Weight 401.378 g/mol
SMILES CC1=CC=C(NC(C2=CC(N3C(C4=C(N(=O)=O)C=CC=C4C3=O)=O)=CC=C2)=O)C=C1