| SpectraBase Spectrum ID |
BEkIGE5EwGC |
| Name |
1-Chloro-2-nitro-4-(trifluoromethoxy)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.975355147 u |
| Formula |
C7H3ClF3NO3 |
| InChI |
InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey |
WMEHRJJXMQRTOU-UHFFFAOYSA-N |
| Molecular Weight |
241.553 g/mol |
| SMILES |
C(F)(F)(F)OC1=CC(=C(C=C1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854055 |
