| SpectraBase Compound ID | 75Zf0t84syn |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-7-8-9-12-15-23-18(21)20(3,4)19(22)24-17-14-11-10-13-16(17)6-2/h10-11,13-14H,5-9,12,15H2,1-4H3 |
| InChIKey | YLCQUNLWCNLYMT-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjyAqO6jDoU |
|---|---|
| Name | Dimethylmalonic acid, 2-ethylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-7-8-9-12-15-23-18(21)20(3,4)19(22)24-17-14-11-10-13-16(17)6-2/h10-11,13-14H,5-9,12,15H2,1-4H3 |
| InChIKey | YLCQUNLWCNLYMT-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCC1=CC=CC=C1OC(C(C(OCCCCCCC)=O)(C)C)=O |