SpectraBase Spectrum ID |
MX9kZDayqO |
Name |
N-[3-(Acetylamino)-4-nitrophenyl]acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.074955842 u |
Formula |
C10H11N3O4 |
InChI |
InChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-10(13(16)17)9(5-8)12-7(2)15/h3-5H,1-2H3,(H,11,14)(H,12,15) |
InChIKey |
BBPXRFUIVJRWKY-UHFFFAOYSA-N |
Molecular Weight |
237.215 g/mol |
SMILES |
CC(=O)NC1=CC(=CC=C1N(=O)=O)NC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946635 |