| SpectraBase Compound ID | BjoMY3hJ3L5 |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-2-16-25-20(22)14-10-5-3-4-6-11-15-21(23)26-18-17-24-19-12-8-7-9-13-19/h7-9,12-13H,2-6,10-11,14-18H2,1H3 |
| InChIKey | KWOCQBYIVNGOJO-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTxJ6dw1a5R |
|---|---|
| Name | Sebacic acid, 2-phenoxyethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-2-16-25-20(22)14-10-5-3-4-6-11-15-21(23)26-18-17-24-19-12-8-7-9-13-19/h7-9,12-13H,2-6,10-11,14-18H2,1H3 |
| InChIKey | KWOCQBYIVNGOJO-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(CCCCCCC(OCCC)=O)CC(OCCOC1=CC=CC=C1)=O |