| SpectraBase Compound ID | HibOT15tahC |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-12-16-26-21(23)18-25-19-22(24)27-17-15-20-13-10-9-11-14-20/h9-11,13-14H,2-8,12,15-19H2,1H3 |
| InChIKey | GKTZRYIXYQPTOA-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hdshvd24i3t |
|---|---|
| Name | Diglycolic acid, decyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-12-16-26-21(23)18-25-19-22(24)27-17-15-20-13-10-9-11-14-20/h9-11,13-14H,2-8,12,15-19H2,1H3 |
| InChIKey | GKTZRYIXYQPTOA-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCCC1=CC=CC=C1 |