| SpectraBase Spectrum ID |
VOWxpiTxsi |
| Name |
3,4-Dihydro-2H-1,5-benzodioxepine-7-thiol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.019256136 u |
| Formula |
C12H9F5O3S |
| InChI |
InChI=1S/C12H9F5O3S/c13-11(14,12(15,16)17)10(18)21-7-2-3-8-9(6-7)20-5-1-4-19-8/h2-3,6H,1,4-5H2 |
| InChIKey |
QJOKQBYUCPHBGZ-UHFFFAOYSA-N |
| Molecular Weight |
328.253 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=CC2=C(C=C1)OCCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905811 |
