| SpectraBase Spectrum ID |
LRW8dyX4QI7 |
| Name |
Sulfonylbis(4,1-phenylene) bis(2,2,3,3,4,4,4-heptafluorobutanoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
641.981803428 u |
| Formula |
C20H8F14O6S |
| InChI |
InChI=1S/C20H8F14O6S/c21-15(22,17(25,26)19(29,30)31)13(35)39-9-1-5-11(6-2-9)41(37,38)12-7-3-10(4-8-12)40-14(36)16(23,24)18(27,28)20(32,33)34/h1-8H |
| InChIKey |
ZQJHQHZUVTZYAI-UHFFFAOYSA-N |
| Molecular Weight |
642.316 g/mol |
| SMILES |
C1(OC(=O)C(C(F)(F)C(F)(F)F)(F)F)=CC=C(C=C1)S(=O)(=O)C1=CC=C(OC(=O)C(C(F)(F)C(F)(F)F)(F)F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868674 |
