SpectraBase Spectrum ID |
C5ha1bHEctN |
Name |
7-(4-Fluorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.009993419 u |
Formula |
C13H7FO3S |
InChI |
InChI=1S/C13H7FO3S/c14-8-3-1-7(2-4-8)10-5-9(15)6-11-12(10)17-13(16)18-11/h1-6,15H |
InChIKey |
LYNYFTAFZJFKTF-UHFFFAOYSA-N |
Molecular Weight |
262.254 g/mol |
SMILES |
C1(OC=2C(S1)=CC(=CC2C1=CC=C(C=C1)F)O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93393 |