| SpectraBase Spectrum ID |
1L6KkDVnAkO |
| Name |
4-Chloro-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 |
364.973641068 u |
| Formula |
C13H7ClF3NO4S |
| InChI |
InChI=1S/C13H7ClF3NO4S/c14-8-1-4-10(5-2-8)23(21,22)12-6-3-9(18(19)20)7-11(12)13(15,16)17/h1-7H |
| InChIKey |
MKPNYCILUWTMSK-UHFFFAOYSA-N |
| Molecular Weight |
365.710 g/mol |
| SMILES |
C1=CC(=CC=C1S(C1=CC=C(C=C1C(F)(F)F)N(=O)=O)(=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915019 |
