| SpectraBase Compound ID | A217IFWSoE6 |
|---|---|
| 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 |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6jPFX4y3cN |
|---|---|
| Name | 2,3,4,4A-Tetrahydro-1H-xanthene-1,7-diol |
| Comments | Computed using HOSE algorithm |
| 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] |