| SpectraBase Compound ID | 8zO35wq36KF |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-2-23-19(21)14-10-5-3-4-6-11-15-20(22)25-17-16-24-18-12-8-7-9-13-18/h7-9,12-13H,2-6,10-11,14-17H2,1H3 |
| InChIKey | MNWXXTPEGJXMNS-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wwvXxqkB2J |
|---|---|
| Name | Sebacic acid, ethyl 2-phenoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-2-23-19(21)14-10-5-3-4-6-11-15-20(22)25-17-16-24-18-12-8-7-9-13-18/h7-9,12-13H,2-6,10-11,14-17H2,1H3 |
| InChIKey | MNWXXTPEGJXMNS-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OCCOC1=CC=CC=C1)=O |