| SpectraBase Compound ID | 4fRIcraWVuz |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-2-24-20(22)13-6-7-14-21(23)25-16-17-9-8-12-19(15-17)26-18-10-4-3-5-11-18/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3 |
| InChIKey | WHQWPJWYJCCKHC-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZXgffqeH8w |
|---|---|
| Name | Adipic acid, ethyl 3-phenoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-2-24-20(22)13-6-7-14-21(23)25-16-17-9-8-12-19(15-17)26-18-10-4-3-5-11-18/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3 |
| InChIKey | WHQWPJWYJCCKHC-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCC)=O |