| SpectraBase Spectrum ID |
6cOHkHoxVjx |
| Name |
3-[(4-Nitrophenyl)ethynyl]aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.074227568 u |
| Formula |
C14H10N2O2 |
| InChI |
InChI=1S/C14H10N2O2/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(17)18/h1-3,6-10H,15H2 |
| InChIKey |
VYEMTANWCQRQLX-UHFFFAOYSA-N |
| Molecular Weight |
238.246 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C#CC2=CC(N)=CC=C2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930569 |
![3-[(4-Nitrophenyl)ethynyl]aniline](/api/spectrum/6cOHkHoxVjx/structure.png?h=300&w=458 "3-[(4-Nitrophenyl)ethynyl]aniline")
