| SpectraBase Spectrum ID |
FVKy82bTxn4 |
| Name |
6-Hydroxy-1,3-benzoxathiol-2-one, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.964026888 u |
| Formula |
C11H3F7O4S |
| InChI |
InChI=1S/C11H3F7O4S/c12-9(13,10(14,15)11(16,17)18)7(19)21-4-1-2-6-5(3-4)22-8(20)23-6/h1-3H |
| InChIKey |
QKDNASNDVOSBIW-UHFFFAOYSA-N |
| Molecular Weight |
364.190 g/mol |
| SMILES |
C1(=O)SC2=CC=C(C=C2O1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839142 |
