| SpectraBase Compound ID | 9SzqNgFxZmO |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-7-11(3)13(5)20-15(17)9-19-10-16(18)21-14(6)12(4)8-2/h11-14H,7-10H2,1-6H3 |
| InChIKey | IASDDMMXUYNFNO-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H30O5 |
| Exact Mass | 302.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuEtmqYMDXT |
|---|---|
| Name | Diglycolic acid, di(3-methylpent-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.209324061 u |
| Formula | C16H30O5 |
| InChI | InChI=1S/C16H30O5/c1-7-11(3)13(5)20-15(17)9-19-10-16(18)21-14(6)12(4)8-2/h11-14H,7-10H2,1-6H3 |
| InChIKey | IASDDMMXUYNFNO-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OC(C(CC)C)C)(=O)OC(C(CC)C)C |