| SpectraBase Compound ID | JkgQwCNtDY8 |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-8-14-23-18(21)11-12-19(22)24-15-13-16-9-6-7-10-17(16)20/h6-7,9-10H,2-5,8,11-15H2,1H3 |
| InChIKey | LIQFTMIXLWGLLU-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 | 4aMWqWz2nWt |
|---|---|
| Name | Succinic acid, 2-chlorophenethyl heptyl 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/c1-2-3-4-5-8-14-23-18(21)11-12-19(22)24-15-13-16-9-6-7-10-17(16)20/h6-7,9-10H,2-5,8,11-15H2,1H3 |
| InChIKey | LIQFTMIXLWGLLU-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(CCC(OCCC1=C(C=CC=C1)Cl)=O)(OCCCCCCC)=O |