| SpectraBase Compound ID | DHf3dCA0Ibd |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-6-9-10-14-23-18(21)20(7-2,8-3)19(22)24-17-13-11-12-15(4)16(17)5/h11-13H,6-10,14H2,1-5H3 |
| InChIKey | ZQWGZGAITSDFNS-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 | HSGi6zNKC6g |
|---|---|
| Name | Diethylmalonic acid, 2,3-dimethylphenyl pentyl 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/c1-6-9-10-14-23-18(21)20(7-2,8-3)19(22)24-17-13-11-12-15(4)16(17)5/h11-13H,6-10,14H2,1-5H3 |
| InChIKey | ZQWGZGAITSDFNS-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC |