| SpectraBase Spectrum ID |
KJgz2LRA3AV |
| Name |
3-Chloro-N-(4-chlorophenyl)-2-nitroso-5-(trifluoromethyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.988752741 u |
| Formula |
C13H7Cl2F3N2O |
| InChI |
InChI=1S/C13H7Cl2F3N2O/c14-8-1-3-9(4-2-8)19-11-6-7(13(16,17)18)5-10(15)12(11)20-21/h1-6,19H |
| InChIKey |
GOXDFUULEVEFBG-UHFFFAOYSA-N |
| Molecular Weight |
335.113 g/mol |
| SMILES |
C=1(C(=CC(C(F)(F)F)=CC1Cl)NC=1C=CC(=CC1)Cl)N=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910327 |
