| SpectraBase Compound ID | 8ershoL7ICH |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-2-3-4-5-6-7-8-12-17-27-22(24)19-26-20-23(25)28-18-13-16-21-14-10-9-11-15-21/h9-11,14-15H,2-8,12-13,16-20H2,1H3 |
| InChIKey | NEYYLXNLENETQA-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CoROVQxyyU |
|---|---|
| Name | Diglycolic acid, decyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-2-3-4-5-6-7-8-12-17-27-22(24)19-26-20-23(25)28-18-13-16-21-14-10-9-11-15-21/h9-11,14-15H,2-8,12-13,16-20H2,1H3 |
| InChIKey | NEYYLXNLENETQA-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCCCC1=CC=CC=C1 |