| SpectraBase Spectrum ID |
FOuSuM9CuPu |
| Name |
Sulfonylbis(4,1-phenylene) bis(2,2,3,3,3-pentafluoropropanoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.988190776 u |
| Formula |
C18H8F10O6S |
| InChI |
InChI=1S/C18H8F10O6S/c19-15(20,17(23,24)25)13(29)33-9-1-5-11(6-2-9)35(31,32)12-7-3-10(4-8-12)34-14(30)16(21,22)18(26,27)28/h1-8H |
| InChIKey |
OHHQHNJYZJQZMP-UHFFFAOYSA-N |
| Molecular Weight |
542.300 g/mol |
| SMILES |
C1(OC(=O)C(C(F)(F)F)(F)F)=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC(=O)C(C(F)(F)F)(F)F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929642 |
