| SpectraBase Compound ID | HAIsC4poxDV |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-5-8-9-10-15-24-18(21)20(6-2,7-3)19(22)25-17-13-11-16(23-4)12-14-17/h11-14H,5-10,15H2,1-4H3 |
| InChIKey | OTYOKVLNKNVXFH-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 | 1diy2TBVLcS |
|---|---|
| Name | Diethylmalonic acid, hexyl 4-methoxyphenyl 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/c1-5-8-9-10-15-24-18(21)20(6-2,7-3)19(22)25-17-13-11-16(23-4)12-14-17/h11-14H,5-10,15H2,1-4H3 |
| InChIKey | OTYOKVLNKNVXFH-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=CC=C(C=C1)OC)=O)CC |