| SpectraBase Spectrum ID |
2TqtCoccoua |
| Name |
4'-Acetamido-4-nitro-2-trifluoromethyldiphenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.034077120 u |
| Formula |
C15H11F3N2O5S |
| InChI |
InChI=1S/C15H11F3N2O5S/c1-9(21)19-10-2-5-12(6-3-10)26(24,25)14-7-4-11(20(22)23)8-13(14)15(16,17)18/h2-8H,1H3,(H,19,21) |
| InChIKey |
XRGVIHTYBZKDTP-UHFFFAOYSA-N |
| Molecular Weight |
388.317 g/mol |
| SMILES |
C1=C(NC(C)=O)C=CC(=C1)S(=O)(=O)C1=C(C=C(C=C1)N(=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88063 |
