| SpectraBase Compound ID | JAzx5f6V8pE |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-3-4-5-6-11-23-17(19)13-22-14-18(20)24-12-15-7-9-16(21-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3 |
| InChIKey | FRHPOMNBTXWNLP-UHFFFAOYSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WfwEkExfQF |
|---|---|
| Name | Diglycolic acid, hexyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.172938551 u |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-3-4-5-6-11-23-17(19)13-22-14-18(20)24-12-15-7-9-16(21-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3 |
| InChIKey | FRHPOMNBTXWNLP-UHFFFAOYSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OCC1=CC=C(OC)C=C1 |