| SpectraBase Spectrum ID |
CHNMcK08EhD |
| Name |
1,4-Benzenedimethanethiol, S,S'-di(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
561.974216126 u |
| Formula |
C16H8F14O2S2 |
| InChI |
InChI=1S/C16H8F14O2S2/c17-11(18,13(21,22)15(25,26)27)9(31)33-5-7-1-2-8(4-3-7)6-34-10(32)12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2 |
| InChIKey |
JPLRCVBEQUYSCA-UHFFFAOYSA-N |
| Molecular Weight |
562.336 g/mol |
| SMILES |
C1=CC(=CC=C1CSC(=O)C(C(C(F)(F)F)(F)F)(F)F)CSC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964451 |
