| SpectraBase Compound ID | 5fDC1b9ar6f |
|---|---|
| InChI | InChI=1S/C16H10O6/c1-7(17)22-11-6-10(18)12-13(16(11)21)15(20)9-5-3-2-4-8(9)14(12)19/h2-6,18,21H,1H3 |
| InChIKey | LPEMXXOYTFUVHQ-UHFFFAOYSA-N |
| Mol Weight | 298.25 g/mol |
| Molecular Formula | C16H10O6 |
| Exact Mass | 298.047738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gz9kEw98cZY |
|---|---|
| Name | Acetic acid, 1,4-dihydroxy-9,10-dioxo-2-anthracenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.047738036 u |
| Formula | C16H10O6 |
| InChI | InChI=1S/C16H10O6/c1-7(17)22-11-6-10(18)12-13(16(11)21)15(20)9-5-3-2-4-8(9)14(12)19/h2-6,18,21H,1H3 |
| InChIKey | LPEMXXOYTFUVHQ-UHFFFAOYSA-N |
| Molecular Weight | 298.250 g/mol |
| SMILES | C12=C(C(C=3C(C2=O)=CC=CC3)=O)C(=CC(=C1O)OC(C)=O)O |