| SpectraBase Spectrum ID |
BuXbZOIDGuX |
| Name |
Sulfonylbis(4,1-phenylene) bis(2,2,2-trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.994578124 u |
| Formula |
C16H8F6O6S |
| InChI |
InChI=1S/C16H8F6O6S/c17-15(18,19)13(23)27-9-1-5-11(6-2-9)29(25,26)12-7-3-10(4-8-12)28-14(24)16(20,21)22/h1-8H |
| InChIKey |
OGTZCLWLVATXQO-UHFFFAOYSA-N |
| Molecular Weight |
442.284 g/mol |
| SMILES |
C1(OC(=O)C(F)(F)F)=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC(=O)C(F)(F)F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977417 |
