| SpectraBase Compound ID | AzIEf5ZYPn7 |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-5-8-9-10-15-25-19(23)21(6-2,7-3)20(24)26-18-13-11-17(12-14-18)16(4)22/h11-14H,5-10,15H2,1-4H3 |
| InChIKey | LWZUGQASLKTELZ-UHFFFAOYSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlzqT6XlqeF |
|---|---|
| Name | Diethylmalonic acid, 4-acetylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.209324061 u |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-5-8-9-10-15-25-19(23)21(6-2,7-3)20(24)26-18-13-11-17(12-14-18)16(4)22/h11-14H,5-10,15H2,1-4H3 |
| InChIKey | LWZUGQASLKTELZ-UHFFFAOYSA-N |
| Molecular Weight | 362.466 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC |