| SpectraBase Compound ID | 6YmCPJuPxuA |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-2-3-4-5-6-7-11-16-26-21(23)18-25-19-22(24)27-17-12-15-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3 |
| InChIKey | RIZBDRJTHAZVMB-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 | 8aPHiSYrtdu |
|---|---|
| Name | Diglycolic acid, nonyl 3-phenylpropyl 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/c1-2-3-4-5-6-7-11-16-26-21(23)18-25-19-22(24)27-17-12-15-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3 |
| InChIKey | RIZBDRJTHAZVMB-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OCCCC1=CC=CC=C1 |