| SpectraBase Spectrum ID |
ACExLQjNk4p |
| Name |
1,3-Benzenedithiol, S,S'-di(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.955690693 u |
| Formula |
C10H4F6O2S2 |
| InChI |
InChI=1S/C10H4F6O2S2/c11-9(12,13)7(17)19-5-2-1-3-6(4-5)20-8(18)10(14,15)16/h1-4H |
| InChIKey |
QUMVILSGORJZND-UHFFFAOYSA-N |
| Molecular Weight |
334.250 g/mol |
| SMILES |
C1(=CC(=CC=C1)SC(C(F)(F)F)=O)SC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939781 |
