| SpectraBase Spectrum ID |
CyNqh6KlJli |
| Name |
7-(4-Fluorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one, o-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.020558103 u |
| Formula |
C15H9FO4S |
| InChI |
InChI=1S/C15H9FO4S/c1-8(17)19-11-6-12(9-2-4-10(16)5-3-9)14-13(7-11)21-15(18)20-14/h2-7H,1H3 |
| InChIKey |
RNQGMQQGJDWLDH-UHFFFAOYSA-N |
| Molecular Weight |
304.291 g/mol |
| SMILES |
C1(OC=2C(S1)=CC(=CC2C1=CC=C(C=C1)F)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854919 |
