| SpectraBase Compound ID | DCeorQgac5r |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-12-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3 |
| InChIKey | RZZPEWZVWQVUCO-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 | GpkXKei7Jtv |
|---|---|
| Name | Diethylmalonic acid, 4-chlorobenzyl propyl 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/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-12-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3 |
| InChIKey | RZZPEWZVWQVUCO-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC |