| SpectraBase Compound ID | 7stcv81F3xO |
|---|---|
| InChI | InChI=1S/C13H12O5/c1-16-9-3-4-10-8(5-12(14)17-2)6-13(15)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3 |
| InChIKey | IEMSTXMWFNGNTK-UHFFFAOYSA-N |
| Mol Weight | 248.23 g/mol |
| Molecular Formula | C13H12O5 |
| Exact Mass | 248.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPpzLtFzYja |
|---|---|
| Name | Methyl 7-methoxycoumarin-4-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.068473481 u |
| Formula | C13H12O5 |
| InChI | InChI=1S/C13H12O5/c1-16-9-3-4-10-8(5-12(14)17-2)6-13(15)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3 |
| InChIKey | IEMSTXMWFNGNTK-UHFFFAOYSA-N |
| Molecular Weight | 248.234 g/mol |
| SMILES | C1(=CC(=O)OC2=C1C=CC(=C2)OC)CC(=O)OC |