| SpectraBase Spectrum ID |
6GvJkwn2ApJ |
| Name |
4'-Amino-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 |
346.023512437 u |
| Formula |
C13H9F3N2O4S |
| InChI |
InChI=1S/C13H9F3N2O4S/c14-13(15,16)11-7-9(18(19)20)3-6-12(11)23(21,22)10-4-1-8(17)2-5-10/h1-7H,17H2 |
| InChIKey |
IVKGKGLVZKKKBZ-UHFFFAOYSA-N |
| Molecular Weight |
346.280 g/mol |
| SMILES |
C1(S(=O)(=O)C2=CC=C(C=C2C(F)(F)F)N(=O)=O)=CC=C(C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869877 |
