| SpectraBase Compound ID | 9kaUqX8KR8V |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-3-4-5-6-7-8-11-14-24-19(21)15-23-16-20(22)25-18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3 |
| InChIKey | SHHODTONDVAWIP-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JN0IFKOuRtz |
|---|---|
| Name | Diglycolic acid, 2-methylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-3-4-5-6-7-8-11-14-24-19(21)15-23-16-20(22)25-18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3 |
| InChIKey | SHHODTONDVAWIP-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OC1=C(C=CC=C1)C |