| SpectraBase Compound ID | Dbr5DiC7KSe |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-2-3-17-26-21(23)15-11-6-4-5-7-12-16-22(24)27-19-18-25-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3 |
| InChIKey | OMIDJFJLDYOFOZ-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 | Ib8LfiIBiHA |
|---|---|
| Name | Sebacic acid, butyl 2-phenoxyethyl 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/c1-2-3-17-26-21(23)15-11-6-4-5-7-12-16-22(24)27-19-18-25-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3 |
| InChIKey | OMIDJFJLDYOFOZ-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(CCCCCCC(OCCCC)=O)CC(OCCOC1=CC=CC=C1)=O |