| SpectraBase Compound ID | DSQ7VpBkJzX |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-4-7-10-13-23-17(21)19(5-2,6-3)18(22)24-16-12-9-8-11-15(16)14-20/h8-9,11-12,14H,4-7,10,13H2,1-3H3 |
| InChIKey | IUQMZKXEXKXJFG-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BipINM9Kir9 |
|---|---|
| Name | Diethylmalonic acid, 2-formylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-4-7-10-13-23-17(21)19(5-2,6-3)18(22)24-16-12-9-8-11-15(16)14-20/h8-9,11-12,14H,4-7,10,13H2,1-3H3 |
| InChIKey | IUQMZKXEXKXJFG-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC |