| SpectraBase Compound ID | BO1oKD8KbUL |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-5-6-7-8-9-10-20-14(17)11-19-12-15(18)21-13-16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | ULNLYJYVOYAJEU-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 | 8btJdC2QkIM |
|---|---|
| Name | Diglycolic acid, heptyl neopentyl 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/c1-5-6-7-8-9-10-20-14(17)11-19-12-15(18)21-13-16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | ULNLYJYVOYAJEU-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OCC(C)(C)C |