| SpectraBase Compound ID | BBrohwcRuWV |
|---|---|
| InChI | InChI=1S/C20H18O4/c1-3-16-13(2)17-10-9-15(11-19(17)24-20(16)22)23-12-18(21)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | OGXXCAKPMQLCMD-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C20H18O4 |
| Exact Mass | 322.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CWG4d8ugA |
|---|---|
| Name | 3-Ethyl-4-methyl-7-benzoylmethyloxycoumarine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.120509056 u |
| Formula | C20H18O4 |
| InChI | InChI=1S/C20H18O4/c1-3-16-13(2)17-10-9-15(11-19(17)24-20(16)22)23-12-18(21)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | OGXXCAKPMQLCMD-UHFFFAOYSA-N |
| Molecular Weight | 322.360 g/mol |
| SMILES | C1(C(=C(C)c2c(O1)cc(OCC(=O)c1ccccc1)cc2)CC)=O |