| SpectraBase Compound ID | 33cnm45joCT |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-4-7-10-13-22-16(20)18(5-2,6-3)17(21)23-15-12-9-8-11-14(15)19/h8-9,11-12H,4-7,10,13H2,1-3H3 |
| InChIKey | YSFQGHNFNMMZRW-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlP6HQ3LqN6 |
|---|---|
| Name | Diethylmalonic acid, 2-chlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-4-7-10-13-22-16(20)18(5-2,6-3)17(21)23-15-12-9-8-11-14(15)19/h8-9,11-12H,4-7,10,13H2,1-3H3 |
| InChIKey | YSFQGHNFNMMZRW-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC |