SpectraBase Spectrum ID |
EFuA2i4NjPp |
Name |
2-(4-Nitrophenyl)-N-methylaniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.089877632 u |
Formula |
C13H12N2O2 |
InChI |
InChI=1S/C13H12N2O2/c1-14-13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16)17/h2-9,14H,1H3 |
InChIKey |
HCHHVRAEVJRVFW-UHFFFAOYSA-N |
Molecular Weight |
228.251 g/mol |
SMILES |
C=1(NC)C(=CC=CC1)C=1C=CC(=CC1)[N+](=O)[O-] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973262 |