SpectraBase Spectrum ID |
Bw6aSUzTK3k |
Name |
N-(3-Nitro-2,4-dimethylphenyl)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.084792251 u |
Formula |
C10H12N2O3 |
InChI |
InChI=1S/C10H12N2O3/c1-6-4-5-9(11-8(3)13)7(2)10(6)12(14)15/h4-5H,1-3H3,(H,11,13) |
InChIKey |
UCPGMSZAKZKWRS-UHFFFAOYSA-N |
Molecular Weight |
208.217 g/mol |
SMILES |
C1(N(=O)=O)=C(C(=CC=C1C)NC(=O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918145 |