| SpectraBase Compound ID | ErGVNGQgMCJ |
|---|---|
| InChI | InChI=1S/C17H12O6/c1-9(18)21-13-7-3-5-11-15(20)12-6-4-8-14(22-10(2)19)17(12)23-16(11)13/h3-8H,1-2H3 |
| InChIKey | WUZVVFUTGMLYHR-UHFFFAOYSA-N |
| Mol Weight | 312.28 g/mol |
| Molecular Formula | C17H12O6 |
| Exact Mass | 312.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42X0E1mGYCT |
|---|---|
| Name | 4,5-Diacetoxyxanthone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.063388100 u |
| Formula | C17H12O6 |
| InChI | InChI=1S/C17H12O6/c1-9(18)21-13-7-3-5-11-15(20)12-6-4-8-14(22-10(2)19)17(12)23-16(11)13/h3-8H,1-2H3 |
| InChIKey | WUZVVFUTGMLYHR-UHFFFAOYSA-N |
| Molecular Weight | 312.277 g/mol |
| SMILES | C1(C=2C=CC=C(C2OC=2C(=CC=CC12)OC(=O)C)OC(=O)C)=O |