| SpectraBase Compound ID | 6CcsHHhKGey |
|---|---|
| InChI | InChI=1S/C22H26O5/c23-21(26-15-7-13-19-9-3-1-4-10-19)17-25-18-22(24)27-16-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2 |
| InChIKey | BUTPAHBPOBQWHZ-UHFFFAOYSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C22H26O5 |
| Exact Mass | 370.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQegQpf6sNX |
|---|---|
| Name | Diglycolic acid, di(3-phenylpropyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.178023932 u |
| Formula | C22H26O5 |
| InChI | InChI=1S/C22H26O5/c23-21(26-15-7-13-19-9-3-1-4-10-19)17-25-18-22(24)27-16-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2 |
| InChIKey | BUTPAHBPOBQWHZ-UHFFFAOYSA-N |
| Molecular Weight | 370.445 g/mol |
| SMILES | C(COCC(=O)OCCCC1=CC=CC=C1)(=O)OCCCC1=CC=CC=C1 |