| SpectraBase Compound ID | FxTrVZKVo6x |
|---|---|
| InChI | InChI=1S/C18H28O9/c19-15-5-1-3-7-17(21)26-13-14-27-18(22)8-4-2-6-16(20)25-12-10-23-9-11-24-15/h1-14H2 |
| InChIKey | SETXNQQCNFZAHO-UHFFFAOYSA-N |
| Mol Weight | 388.41 g/mol |
| Molecular Formula | C18H28O9 |
| Exact Mass | 388.173332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Su8RoPrOSE |
|---|---|
| Name | Adipate ethylene glycol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.173332473 u |
| Formula | C18H28O9 |
| InChI | InChI=1S/C18H28O9/c19-15-5-1-3-7-17(21)26-13-14-27-18(22)8-4-2-6-16(20)25-12-10-23-9-11-24-15/h1-14H2 |
| InChIKey | SETXNQQCNFZAHO-UHFFFAOYSA-N |
| Molecular Weight | 388.413 g/mol |
| SMILES | C1CCCC(=O)OCCOCCOC(=O)CCCCC(OCCOC1=O)=O |