| SpectraBase Compound ID | E88jbBpjpiG |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-5-8-9-10-11-12-16-26-20(23)22(6-2,7-3)21(24)27-19-15-13-14-18(17-19)25-4/h13-15,17H,5-12,16H2,1-4H3 |
| InChIKey | MZFRTNKGSFHKAG-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 | 9BsWGIlwhOj |
|---|---|
| Name | Diethylmalonic acid, 3-methoxyphenyl octyl 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/c1-5-8-9-10-11-12-16-26-20(23)22(6-2,7-3)21(24)27-19-15-13-14-18(17-19)25-4/h13-15,17H,5-12,16H2,1-4H3 |
| InChIKey | MZFRTNKGSFHKAG-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)(CC)CC)(OC1=CC(OC)=CC=C1)=O |