| SpectraBase Compound ID | 4RhZPCPyEXN |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-6-9-10-11-12-16-25-20(23)22(7-2,8-3)21(24)26-19-15-13-14-17(4)18(19)5/h13-15H,6-12,16H2,1-5H3 |
| InChIKey | HNXYSBKZNVBCQA-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 | Bey2lUPKyos |
|---|---|
| Name | Diethylmalonic acid, 2,3-dimethylphenyl heptyl 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/c1-6-9-10-11-12-16-25-20(23)22(7-2,8-3)21(24)26-19-15-13-14-17(4)18(19)5/h13-15H,6-12,16H2,1-5H3 |
| InChIKey | HNXYSBKZNVBCQA-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | CCC(C(OCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC |