| SpectraBase Compound ID | 4YJ055DK7Ea |
|---|---|
| InChI | InChI=1S/C20H18O3/c1-15-19(20(21)22-14-17-10-6-3-7-11-17)13-18(23-15)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3 |
| InChIKey | ICKBQOBQIAGGQJ-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C20H18O3 |
| Exact Mass | 306.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVGtEUZ8XwK |
|---|---|
| Name | 2-Methyl-5-(phenylmethyl)-3-furancarboxylic acid benzylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.125594437 u |
| Formula | C20H18O3 |
| InChI | InChI=1S/C20H18O3/c1-15-19(20(21)22-14-17-10-6-3-7-11-17)13-18(23-15)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3 |
| InChIKey | ICKBQOBQIAGGQJ-UHFFFAOYSA-N |
| Molecular Weight | 306.361 g/mol |
| SMILES | C=1C=C(CC2=CC(=C(O2)C)C(=O)OCC2=CC=CC=C2)C=CC1 |