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N-[(p-anisidino)methyl]-4-nitrophthalimide

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

N-[(p-anisidino)methyl]-4-nitrophthalimide
SpectraBase Compound ID AxCjjdPv6eo
InChI InChI=1S/C16H13N3O5/c1-24-12-5-2-10(3-6-12)17-9-18-15(20)13-7-4-11(19(22)23)8-14(13)16(18)21/h2-8,17H,9H2,1H3
InChIKey QKRFNBBGIYFDKM-UHFFFAOYSA-N
Mol Weight 327.3 g/mol
Molecular Formula C16H13N3O5
Exact Mass 327.085521 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JD1ijxt8Ghj
Name N-[(p-Anisidino)methyl]-4-nitrophthalimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.085520526 u
Formula C16H13N3O5
InChI InChI=1S/C16H13N3O5/c1-24-12-5-2-10(3-6-12)17-9-18-15(20)13-7-4-11(19(22)23)8-14(13)16(18)21/h2-8,17H,9H2,1H3
InChIKey QKRFNBBGIYFDKM-UHFFFAOYSA-N
SMILES N(CN1C(C2=C(C=C(C=C2)N(=O)=O)C1=O)=O)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Raman) 0.950575