| SpectraBase Compound ID | 6K4ZRoDjV25 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-16(2)10-8-14-23-18(21)20(3,4)19(22)24-15-9-13-17-11-6-5-7-12-17/h5-7,11-12,16H,8-10,13-15H2,1-4H3 |
| InChIKey | FYKFEWPHNGZLLS-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 | Fc42ZA2Yend |
|---|---|
| Name | Dimethylmalonic acid, isohexyl 3-phenylpropyl 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/c1-16(2)10-8-14-23-18(21)20(3,4)19(22)24-15-9-13-17-11-6-5-7-12-17/h5-7,11-12,16H,8-10,13-15H2,1-4H3 |
| InChIKey | FYKFEWPHNGZLLS-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CC(C)CCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O |