| SpectraBase Compound ID | GWyAUkCOUh4 |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-9(2)8-17-12-7-14(15)18-13-6-10(16-3)4-5-11(12)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | GTPSNEJGLDZAMR-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WKgmKlvQH9 |
|---|---|
| Name | 4-(2-Methylpropyl)oxy-7-methoxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-9(2)8-17-12-7-14(15)18-13-6-10(16-3)4-5-11(12)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | GTPSNEJGLDZAMR-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2OCC(C)C)OC |