| SpectraBase Compound ID | 2WR7WvsXx8i |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-2-3-7-12-22-17(19)14-21-15-18(20)23-13-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey | FRZBDHRIYPBUPL-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55QvXli6FfJ |
|---|---|
| Name | Diglycolic acid, pentyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-2-3-7-12-22-17(19)14-21-15-18(20)23-13-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey | FRZBDHRIYPBUPL-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OCCCC1=CC=CC=C1 |