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N-[(5-nitro-o-toluidino)methyl]pthalimide

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

N-[(5-nitro-o-toluidino)methyl]pthalimide
SpectraBase Compound ID 4pi3HuFlAdr
InChI InChI=1S/C16H13N3O4/c1-10-6-7-11(19(22)23)8-14(10)17-9-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-8,17H,9H2,1H3
InChIKey JOJQKUVZMGXAPB-UHFFFAOYSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H13N3O4
Exact Mass 311.090606 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KQLNs2jEtPy
Name N-[(5-Nitro-o-toluidino)methyl]pthalimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.090605907 u
Formula C16H13N3O4
InChI InChI=1S/C16H13N3O4/c1-10-6-7-11(19(22)23)8-14(10)17-9-18-15(20)12-4-2-3-5-13(12)16(18)21/h2-8,17H,9H2,1H3
InChIKey JOJQKUVZMGXAPB-UHFFFAOYSA-N
SMILES N(CN1C(C=2C=CC=CC2C1=O)=O)C1=CC(=CC=C1C)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.832426