| SpectraBase Compound ID | 506yhDcrTg0 |
|---|---|
| InChI | InChI=1S/C22H26O5/c1-4-22(5-2,20(23)25-6-3)21(24)26-16-17-11-10-14-19(15-17)27-18-12-8-7-9-13-18/h7-15H,4-6,16H2,1-3H3 |
| InChIKey | MKJDLFQAMIMDLT-UHFFFAOYSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C22H26O5 |
| Exact Mass | 370.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BRScaOHZzR |
|---|---|
| Name | Diethylmalonic acid, ethyl 3-phenoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.178023932 u |
| Formula | C22H26O5 |
| InChI | InChI=1S/C22H26O5/c1-4-22(5-2,20(23)25-6-3)21(24)26-16-17-11-10-14-19(15-17)27-18-12-8-7-9-13-18/h7-15H,4-6,16H2,1-3H3 |
| InChIKey | MKJDLFQAMIMDLT-UHFFFAOYSA-N |
| Molecular Weight | 370.445 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC |