| SpectraBase Spectrum ID |
3Uo6mBhauI1 |
| Name |
1,9,9A-Trihydroxy-2,3,4A,9,9A-hexahydroxanthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c14-10-6-3-7-11-13(10,16)12(15)8-4-1-2-5-9(8)17-11/h1-2,4-5,10-12,14-16H,3,6-7H2/t10-,11+,12+,13-/m1/s1 |
| InChIKey |
PAIJOQLCQSYORH-MROQNXINSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
[C@@]12([C@](C3=CC=CC=C3O[C@]2(CCC[C@]1(O)[H])[H])(O)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84436 |
