| SpectraBase Compound ID | Jhx7vDw7tm5 |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-4-7-12-21-15(19)17(5-2,6-3)16(20)22-14-11-9-8-10-13(14)18/h8-11H,4-7,12H2,1-3H3 |
| InChIKey | XNHPRBYQSCHXED-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HED6IEenC3k |
|---|---|
| Name | Diethylmalonic acid, butyl 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-4-7-12-21-15(19)17(5-2,6-3)16(20)22-14-11-9-8-10-13(14)18/h8-11H,4-7,12H2,1-3H3 |
| InChIKey | XNHPRBYQSCHXED-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC |