| SpectraBase Spectrum ID |
5tFW9ScKTIE |
| Name |
Xanthen-9-one, 1,3,5,8-tetrahydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.032087972 u |
| Formula |
C13H8O6 |
| InChI |
InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H |
| InChIKey |
MPXAWSABMVLIBU-UHFFFAOYSA-N |
| Molecular Weight |
260.201 g/mol |
| SMILES |
C1=C(C=2OC3=CC(O)=CC(=C3C(C2C(=C1)O)=O)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945429 |
