| SpectraBase Spectrum ID |
IC707Np9E92 |
| Name |
1,2-Benzenedithiol, S-chlorodifluoroacetyl-S'-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.926140230 u |
| Formula |
C10H4ClF5O2S2 |
| InChI |
InChI=1S/C10H4ClF5O2S2/c11-9(12,13)7(17)19-5-3-1-2-4-6(5)20-8(18)10(14,15)16/h1-4H |
| InChIKey |
MJCMOHLLCYOJJP-UHFFFAOYSA-N |
| Molecular Weight |
350.705 g/mol |
| SMILES |
C1=C(C(=CC=C1)SC(C(F)(F)Cl)=O)SC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931595 |
