| SpectraBase Spectrum ID |
2TNAb7LZcZr |
| Name |
N-(4-(2-Aminoethyl)phenyl)-2,4-dinitroaniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.101504943 u |
| Formula |
C14H14N4O4 |
| InChI |
InChI=1S/C14H14N4O4/c15-8-7-10-1-3-11(4-2-10)16-13-6-5-12(17(19)20)9-14(13)18(21)22/h1-6,9,16H,7-8,15H2 |
| InChIKey |
NIDKDRIKNUWCGI-UHFFFAOYSA-N |
| SMILES |
C=1(C(=CC(=CC1)[N+](=O)[O-])[N+](=O)[O-])NC=1C=CC(=CC1)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947161 |
