| SpectraBase Spectrum ID |
6quzbw60Hl8 |
| Name |
1,4-Benzenedimethanethiol, S,S'-di(pentafluoropropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.980603474 u |
| Formula |
C14H8F10O2S2 |
| InChI |
InChI=1S/C14H8F10O2S2/c15-11(16,13(19,20)21)9(25)27-5-7-1-2-8(4-3-7)6-28-10(26)12(17,18)14(22,23)24/h1-4H,5-6H2 |
| InChIKey |
RTJQBVAGNNVVSA-UHFFFAOYSA-N |
| Molecular Weight |
462.320 g/mol |
| SMILES |
C1=CC(=CC=C1CSC(C(C(F)(F)F)(F)F)=O)CSC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95988 |
