| SpectraBase Compound ID | E0RjRb73doJ |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-2-3-4-8-12-22-17(19)14-21-15-18(20)23-13-11-16-9-6-5-7-10-16/h5-7,9-10H,2-4,8,11-15H2,1H3 |
| InChIKey | PFWMKOFQXJJMDG-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 | 74h3yCqSsAO |
|---|---|
| Name | Diglycolic acid, hexyl phenethyl 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/c1-2-3-4-8-12-22-17(19)14-21-15-18(20)23-13-11-16-9-6-5-7-10-16/h5-7,9-10H,2-4,8,11-15H2,1H3 |
| InChIKey | PFWMKOFQXJJMDG-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OCCC1=CC=CC=C1 |