SpectraBase Spectrum ID |
Lqt2LupOnTI |
Name |
Butanamide, N-(3-nitrophenyl)- |
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/c1-2-4-10(13)11-8-5-3-6-9(7-8)12(14)15/h3,5-7H,2,4H2,1H3,(H,11,13) |
InChIKey |
VXGYYWZDOBSZDA-UHFFFAOYSA-N |
Molecular Weight |
208.217 g/mol |
SMILES |
CCCC(NC1=CC(=CC=C1)N(=O)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946417 |