| SpectraBase Compound ID | FFJgVeCjE1z |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-4-6-7-8-9-10-12-21-16(18)13-20-14-17(19)22-15(3)11-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | GTTFPPZIMLYOMX-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C17H32O5 |
| Exact Mass | 316.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vZzTwHlFui |
|---|---|
| Name | Diglycolic acid, octyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.224974125 u |
| Formula | C17H32O5 |
| InChI | InChI=1S/C17H32O5/c1-4-6-7-8-9-10-12-21-16(18)13-20-14-17(19)22-15(3)11-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | GTTFPPZIMLYOMX-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OC(C)CCC |