| SpectraBase Compound ID | AkaDUlvkeoe |
|---|---|
| InChI | InChI=1S/C17H24O6/c1-3-4-5-8-11-22-16(18)12-21-13-17(19)23-15-10-7-6-9-14(15)20-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3 |
| InChIKey | CGXBOOQKOMATKN-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 | L1tikhOn9GP |
|---|---|
| Name | Diglycolic acid, hexyl 2-methoxyphenyl 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/c1-3-4-5-8-11-22-16(18)12-21-13-17(19)23-15-10-7-6-9-14(15)20-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3 |
| InChIKey | CGXBOOQKOMATKN-UHFFFAOYSA-N |
| Molecular Weight | 324.373 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OC1=C(OC)C=CC=C1 |