| SpectraBase Compound ID | 8z63iVOjJJG |
|---|---|
| InChI | InChI=1S/C16H12O5/c1-19-12-4-3-5-13-14(12)15(17)10-8-9(16(18)20-2)6-7-11(10)21-13/h3-8H,1-2H3 |
| InChIKey | HOBCUXPTKUHHGE-UHFFFAOYSA-N |
| Mol Weight | 284.27 g/mol |
| Molecular Formula | C16H12O5 |
| Exact Mass | 284.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FC9FSkrMe7o |
|---|---|
| Name | Methyl 8-methoxy-9-oxo-9H-xanthene-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.068473481 u |
| Formula | C16H12O5 |
| InChI | InChI=1S/C16H12O5/c1-19-12-4-3-5-13-14(12)15(17)10-8-9(16(18)20-2)6-7-11(10)21-13/h3-8H,1-2H3 |
| InChIKey | HOBCUXPTKUHHGE-UHFFFAOYSA-N |
| SMILES | C1(C=2C(=CC=CC2OC)OC2=C1C=C(C(=O)OC)C=C2)=O |