| SpectraBase Spectrum ID |
5vdjhiiqcq6 |
| Name |
1-(Chloromethyl)-2-nitro-4-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.996090592 u |
| Formula |
C8H5ClF3NO2 |
| InChI |
InChI=1S/C8H5ClF3NO2/c9-4-5-1-2-6(8(10,11)12)3-7(5)13(14)15/h1-3H,4H2 |
| InChIKey |
JWFRBTUSUAFGOS-UHFFFAOYSA-N |
| Molecular Weight |
239.581 g/mol |
| SMILES |
C(C1=CC=C(C(F)(F)F)C=C1N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840601 |
