| SpectraBase Compound ID | DGnmvBEFKbO |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-7-8-12-17-25-20(23)22(5-2,6-3)21(24)26-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3 |
| InChIKey | WHOATNBLZLFIHG-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9AWpAsMYOI |
|---|---|
| Name | Diethylmalonic acid, hexyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-7-8-12-17-25-20(23)22(5-2,6-3)21(24)26-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3 |
| InChIKey | WHOATNBLZLFIHG-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC |