| SpectraBase Compound ID | LB8aAquWdYV |
|---|---|
| InChI | InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13) |
| InChIKey | VEEGNDSSWAOLFN-UHFFFAOYSA-N |
| Mol Weight | 220.18 g/mol |
| Molecular Formula | C11H8O5 |
| Exact Mass | 220.037173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVM08wNd7NC |
|---|---|
| Name | Cumarin-3-carboxylic acid, 7-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.037173353 u |
| Formula | C11H8O5 |
| InChI | InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13) |
| InChIKey | VEEGNDSSWAOLFN-UHFFFAOYSA-N |
| Molecular Weight | 220.180 g/mol |
| SMILES | C12=CC(=CC=C2C=C(C(O1)=O)C(O)=O)OC |