| SpectraBase Compound ID | JMw3dlLft0h |
|---|---|
| InChI | InChI=1S/C19H18O4/c1-2-3-10-22-16-8-5-13(6-9-16)17-11-14-4-7-15(20)12-18(14)23-19(17)21/h4-9,11-12,20H,2-3,10H2,1H3 |
| InChIKey | DBNDKEOLJUPIAU-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C19H18O4 |
| Exact Mass | 310.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TNdKMv27te |
|---|---|
| Name | 3-(4-Butoxyphenyl)-7-hydroxycoumarine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.120509056 u |
| Formula | C19H18O4 |
| InChI | InChI=1S/C19H18O4/c1-2-3-10-22-16-8-5-13(6-9-16)17-11-14-4-7-15(20)12-18(14)23-19(17)21/h4-9,11-12,20H,2-3,10H2,1H3 |
| InChIKey | DBNDKEOLJUPIAU-UHFFFAOYSA-N |
| Molecular Weight | 310.349 g/mol |
| SMILES | Oc1cc2OC(C(=Cc2cc1)c1ccc(cc1)OCCCC)=O |