| SpectraBase Compound ID | CIVI1J42qRX |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-4-7-8-12-23-17(21)19(5-2,6-3)18(22)24-14-15-10-9-11-16(20)13-15/h9-11,13H,4-8,12,14H2,1-3H3 |
| InChIKey | DCEUOJMFLOERNY-UHFFFAOYSA-N |
| Mol Weight | 354.87 g/mol |
| Molecular Formula | C19H27ClO4 |
| Exact Mass | 354.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaJqfzkgZgV |
|---|---|
| Name | Diethylmalonic acid, 3-chlorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.159787045 u |
| Formula | C19H27ClO4 |
| InChI | InChI=1S/C19H27ClO4/c1-4-7-8-12-23-17(21)19(5-2,6-3)18(22)24-14-15-10-9-11-16(20)13-15/h9-11,13H,4-8,12,14H2,1-3H3 |
| InChIKey | DCEUOJMFLOERNY-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OCC1=CC(=CC=C1)Cl)=O)CC |