| SpectraBase Spectrum ID |
2d1G3Qlq0at |
| Name |
2-(3'-Nitrobenzyl)-4-trifluoromethylnitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.051441263 u |
| Formula |
C14H9F3N2O4 |
| InChI |
InChI=1S/C14H9F3N2O4/c15-14(16,17)11-4-5-13(19(22)23)10(8-11)6-9-2-1-3-12(7-9)18(20)21/h1-5,7-8H,6H2 |
| InChIKey |
GGGXUJXXLVCZJL-UHFFFAOYSA-N |
| Molecular Weight |
326.231 g/mol |
| SMILES |
C=1(C(=CC(=CC1)C(F)(F)F)CC=1C=CC=C(C1)[N+](=O)[O-])[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912122 |
