| SpectraBase Compound ID | 6uLejugkU4q |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-4-7-12-22-16(20)18(5-2,6-3)17(21)23-15-11-9-8-10-14(15)13-19/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey | AKVNWXXKNSODFJ-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3WwoIvhr0J |
|---|---|
| Name | Diethylmalonic acid, butyl 2-formylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-4-7-12-22-16(20)18(5-2,6-3)17(21)23-15-11-9-8-10-14(15)13-19/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey | AKVNWXXKNSODFJ-UHFFFAOYSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC |