| SpectraBase Spectrum ID |
GH4elTEnPBb |
| Name |
N,N-Diethyl-2-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.100442316 u |
| Formula |
C11H14N2O3 |
| InChI |
InChI=1S/C11H14N2O3/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13(15)16/h5-8H,3-4H2,1-2H3 |
| InChIKey |
UZFASDJWLBSBMR-UHFFFAOYSA-N |
| Molecular Weight |
222.244 g/mol |
| SMILES |
C(C=1C(=CC=CC1)[N+](=O)[O-])(=O)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800417 |
