| SpectraBase Compound ID | A4YZtSx3Ij3 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-8-9-10-14-23-18(21)20(6-2,7-3)19(22)24-17-13-11-12-16(4)15-17/h11-13,15H,5-10,14H2,1-4H3 |
| InChIKey | ZNIPQHJBBDWNHY-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 | 99ghk0V1gz1 |
|---|---|
| Name | Diethylmalonic acid, hexyl 3-methylphenyl 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/c1-5-8-9-10-14-23-18(21)20(6-2,7-3)19(22)24-17-13-11-12-16(4)15-17/h11-13,15H,5-10,14H2,1-4H3 |
| InChIKey | ZNIPQHJBBDWNHY-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=CC(=CC=C1)C)=O)CC |