| SpectraBase Compound ID | K4OGqPI3V3c |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-3-22-18(20)16-10-8-14(9-11-16)12-15-6-5-7-17(13-15)19(21)23-4-2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | HOBHIJSSZHOZHL-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fc0x0LdkQN |
|---|---|
| Name | Ethyl 3-[4-(ethoxycarbonyl)benzyl]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-3-22-18(20)16-10-8-14(9-11-16)12-15-6-5-7-17(13-15)19(21)23-4-2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | HOBHIJSSZHOZHL-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C=1C=C(CC=2C=CC(C(=O)OCC)=CC2)C=C(C(OCC)=O)C1 |