| SpectraBase Spectrum ID |
46LiP3mmXJC |
| Name |
2-Nitro-6-(phenylethynyl)-4-(trifluoromethyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.061612025 u |
| Formula |
C15H9F3N2O2 |
| InChI |
InChI=1S/C15H9F3N2O2/c16-15(17,18)12-8-11(14(19)13(9-12)20(21)22)7-6-10-4-2-1-3-5-10/h1-5,8-9H,19H2 |
| InChIKey |
WLDWSMPQZAOMTR-UHFFFAOYSA-N |
| Molecular Weight |
306.244 g/mol |
| SMILES |
C=1(N(=O)=O)C(=C(C#CC=2C=CC=CC2)C=C(C(F)(F)F)C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8835 |
