| SpectraBase Compound ID | AlEQKEw3ZBV |
|---|---|
| InChI | InChI=1S/C15H16O5/c1-4-9(2)19-14(16)11-8-10-6-5-7-12(18-3)13(10)20-15(11)17/h5-9H,4H2,1-3H3 |
| InChIKey | XWDLTWWPRSSHOO-UHFFFAOYSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C15H16O5 |
| Exact Mass | 276.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Vas0A2yRJB |
|---|---|
| Name | 8-Methoxycoumarin-3-carboxylic acid, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.099773610 u |
| Formula | C15H16O5 |
| InChI | InChI=1S/C15H16O5/c1-4-9(2)19-14(16)11-8-10-6-5-7-12(18-3)13(10)20-15(11)17/h5-9H,4H2,1-3H3 |
| InChIKey | XWDLTWWPRSSHOO-UHFFFAOYSA-N |
| Molecular Weight | 276.288 g/mol |
| SMILES | C1=C(OC)C=2OC(=O)C(=CC2C=C1)C(=O)OC(CC)C |