| SpectraBase Compound ID | F6Ju0tf5DDo |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-4-5-6-7-8-10-20-15(17)12-19-13-16(18)21-11-9-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | JCSPPTKSKSSMGH-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 | KIRK7Q3glEE |
|---|---|
| Name | Diglycolic acid, heptyl 3-methylbutyl 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/c1-4-5-6-7-8-10-20-15(17)12-19-13-16(18)21-11-9-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | JCSPPTKSKSSMGH-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OCCC(C)C |