| SpectraBase Compound ID | 5cjw5CyMF9z |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-4-7-8-11-14-24-18(22)20(5-2,6-3)19(23)25-17-13-10-9-12-16(17)15-21/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey | CJUYXHVVLBNZTD-UHFFFAOYSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnTWggxbv1d |
|---|---|
| Name | Diethylmalonic acid, 2-formylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.193673997 u |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-4-7-8-11-14-24-18(22)20(5-2,6-3)19(23)25-17-13-10-9-12-16(17)15-21/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey | CJUYXHVVLBNZTD-UHFFFAOYSA-N |
| Molecular Weight | 348.439 g/mol |
| SMILES | C(C(C(OCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC)C |