| SpectraBase Spectrum ID |
EEW7IRGttUd |
| Name |
1,4-Benzenedithiol, S,S'-di(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
533.942915997 u |
| Formula |
C14H4F14O2S2 |
| InChI |
InChI=1S/C14H4F14O2S2/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-1-2-6(4-3-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h1-4H |
| InChIKey |
CXGZNBPWSDKPCP-UHFFFAOYSA-N |
| Molecular Weight |
534.282 g/mol |
| SMILES |
C1(=CC=C(C=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F)SC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959629 |
