| SpectraBase Spectrum ID |
CcAIilp4kFH |
| Name |
2,3-Dihydro-1,4-benzodioxin-6-thiol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.003606071 u |
| Formula |
C11H7F5O3S |
| InChI |
InChI=1S/C11H7F5O3S/c12-10(13,11(14,15)16)9(17)20-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5H,3-4H2 |
| InChIKey |
CWBJUWQSVSCQDL-UHFFFAOYSA-N |
| Molecular Weight |
314.226 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=CC2=C(C=C1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95243 |
