| SpectraBase Compound ID | IyPJuMNsMS6 |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-2-23-19(21)12-7-13-20(22)24-15-16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-6,8-11,14H,2,7,12-13,15H2,1H3 |
| InChIKey | GVTPFKPAQCHDOP-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5S60JGlZgxj |
|---|---|
| Name | Glutaric acid, ethyl 3-phenoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-2-23-19(21)12-7-13-20(22)24-15-16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-6,8-11,14H,2,7,12-13,15H2,1H3 |
| InChIKey | GVTPFKPAQCHDOP-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)(=O)CCCC(OCC)=O |