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N-butyl-2-ethoxy-5-nitrobenzamide

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

N-butyl-2-ethoxy-5-nitrobenzamide
SpectraBase Compound ID 4QltiHO5UlE
InChI InChI=1S/C13H18N2O4/c1-3-5-8-14-13(16)11-9-10(15(17)18)6-7-12(11)19-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,16)
InChIKey PKRGSMZFJLVQOM-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LNyYKXk9bX0
Name N-Butyl-2-ethoxy-5-nitrobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.126657064 u
Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-3-5-8-14-13(16)11-9-10(15(17)18)6-7-12(11)19-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,16)
InChIKey PKRGSMZFJLVQOM-UHFFFAOYSA-N
Molecular Weight 266.297 g/mol
SMILES N(C(C1=CC(=CC=C1OCC)N(=O)=O)=O)CCCC
Spectrum/Structure Validation Score (Raman) 0.879006