| SpectraBase Compound ID | 8ANqe32A9Km |
|---|---|
| InChI | InChI=1S/C19H27ClO4/c1-2-3-4-5-6-14-23-18(21)11-12-19(22)24-15-13-16-7-9-17(20)10-8-16/h7-10H,2-6,11-15H2,1H3 |
| InChIKey | XHLOUQQQRGKBQU-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 | CEWBU8fZrnT |
|---|---|
| Name | Succinic acid, 4-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/c1-2-3-4-5-6-14-23-18(21)11-12-19(22)24-15-13-16-7-9-17(20)10-8-16/h7-10H,2-6,11-15H2,1H3 |
| InChIKey | XHLOUQQQRGKBQU-UHFFFAOYSA-N |
| Molecular Weight | 354.874 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1)Cl)=O)(OCCCCCCC)=O |