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N-(3,4-dimethyloxyphenthyl)-p-nitrobenzamide

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

N-(3,4-dimethyloxyphenthyl)-p-nitrobenzamide
SpectraBase Compound ID DBMQhWlYIka
InChI InChI=1S/C17H18N2O5/c1-23-15-8-3-12(11-16(15)24-2)9-10-18-17(20)13-4-6-14(7-5-13)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKey KDOHTODTTGVPNS-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C17H18N2O5
Exact Mass 330.121572 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Bo642CpptqU
Name N-(3,4-Dimethyloxyphenthyl)-p-nitrobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.121571683 u
Formula C17H18N2O5
InChI InChI=1S/C17H18N2O5/c1-23-15-8-3-12(11-16(15)24-2)9-10-18-17(20)13-4-6-14(7-5-13)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKey KDOHTODTTGVPNS-UHFFFAOYSA-N
Molecular Weight 330.340 g/mol
SMILES N(C(C1=CC=C(C=C1)N(=O)=O)=O)CCC=1C=CC(=C(C1)OC)OC
Spectrum/Structure Validation Score (Raman) 0.979282