| SpectraBase Compound ID | 803ppuqlMuZ |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-5-9-10-11-15-24-19(22)21(7-3,8-4)20(23)25-18-14-12-13-17(6-2)16-18/h12-14,16H,5-11,15H2,1-4H3 |
| InChIKey | XGQYQTCLFLINMV-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYbJgTeZGj6 |
|---|---|
| Name | Diethylmalonic acid, 3-ethylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-5-9-10-11-15-24-19(22)21(7-3,8-4)20(23)25-18-14-12-13-17(6-2)16-18/h12-14,16H,5-11,15H2,1-4H3 |
| InChIKey | XGQYQTCLFLINMV-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=CC=CC(=C1)CC)=O)CC |