| SpectraBase Spectrum ID |
I9L4iELxv0m |
| Name |
2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl o-tolyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.046355882 u |
| Formula |
C14H9F3N2O5 |
| InChI |
InChI=1S/C14H9F3N2O5/c1-8-4-2-3-5-12(8)24-13-10(18(20)21)6-9(14(15,16)17)7-11(13)19(22)23/h2-7H,1H3 |
| InChIKey |
CZPOWGOYPZZFHY-UHFFFAOYSA-N |
| Molecular Weight |
342.230 g/mol |
| SMILES |
N(=O)(=O)C1=C(C(=CC(=C1)C(F)(F)F)N(=O)=O)OC=1C(=CC=CC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.932545 |
