| SpectraBase Spectrum ID |
KIYwjs0nHo2 |
| Name |
9H-Xanthen-9-one, 1,3,8-trihydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.037173353 u |
| Formula |
C13H8O5 |
| InChI |
InChI=1S/C13H8O5/c14-6-4-8(16)12-10(5-6)18-9-3-1-2-7(15)11(9)13(12)17/h1-5,14-16H |
| InChIKey |
USKKTSTUBVKGIU-UHFFFAOYSA-N |
| Molecular Weight |
244.202 g/mol |
| SMILES |
C1(=O)C2=C(OC3=C1C(O)=CC=C3)C=C(C=C2O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974629 |
