| SpectraBase Compound ID | BW4ibwlY3Az |
|---|---|
| InChI | InChI=1S/C19H28O6/c1-3-4-5-6-7-12-24-18(20)14-23-15-19(21)25-13-16-8-10-17(22-2)11-9-16/h8-11H,3-7,12-15H2,1-2H3 |
| InChIKey | HAXMPWJHMKLSIL-UHFFFAOYSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C19H28O6 |
| Exact Mass | 352.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5d5jS5GTfkb |
|---|---|
| Name | Diglycolic acid, heptyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.188588616 u |
| Formula | C19H28O6 |
| InChI | InChI=1S/C19H28O6/c1-3-4-5-6-7-12-24-18(20)14-23-15-19(21)25-13-16-8-10-17(22-2)11-9-16/h8-11H,3-7,12-15H2,1-2H3 |
| InChIKey | HAXMPWJHMKLSIL-UHFFFAOYSA-N |
| Molecular Weight | 352.427 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OCC1=CC=C(OC)C=C1 |