| SpectraBase Spectrum ID |
3So9R2hlCw0 |
| Name |
N-Methyl-4-nitro-N-(trifluoromethyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.045961960 u |
| Formula |
C8H7F3N2O2 |
| InChI |
InChI=1S/C8H7F3N2O2/c1-12(8(9,10)11)6-2-4-7(5-3-6)13(14)15/h2-5H,1H3 |
| InChIKey |
UIDQHAGOVYYTNU-UHFFFAOYSA-N |
| Molecular Weight |
220.151 g/mol |
| SMILES |
C(N(C=1C=CC(=CC1)N(=O)=O)C)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905008 |
