| SpectraBase Spectrum ID |
HkNHbrYLSxg |
| Name |
2,3,4,4A-Tetrahydro-1H-xanthene-1,7-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.094294308 u |
| Formula |
C13H14O3 |
| InChI |
InChI=1S/C13H14O3/c14-9-4-5-12-8(6-9)7-10-11(15)2-1-3-13(10)16-12/h4-7,11,13-15H,1-3H2/t11-,13+/m0/s1 |
| InChIKey |
OZLOZMSBWFRYEY-WCQYABFASA-N |
| Molecular Weight |
218.252 g/mol |
| SMILES |
C12=CC=3C=C(O)C=CC3O[C@@]2(CCC[C@@]1(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841383 |
