| SpectraBase Compound ID | 2yRXUgQnJkm |
|---|---|
| InChI | InChI=1S/C17H24O6/c1-3-4-5-10-22-16(18)12-21-13-17(19)23-11-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3 |
| InChIKey | CEUBMSDIGXBWES-UHFFFAOYSA-N |
| Mol Weight | 324.37 g/mol |
| Molecular Formula | C17H24O6 |
| Exact Mass | 324.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADs2FCanyun |
|---|---|
| Name | Diglycolic acid, 4-methoxybenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.157288487 u |
| Formula | C17H24O6 |
| InChI | InChI=1S/C17H24O6/c1-3-4-5-10-22-16(18)12-21-13-17(19)23-11-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3 |
| InChIKey | CEUBMSDIGXBWES-UHFFFAOYSA-N |
| Molecular Weight | 324.373 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OCC1=CC=C(OC)C=C1 |