| SpectraBase Compound ID | 58KFLeE9Ryk |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3 |
| InChIKey | GCWMZTSXXYRRGI-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 | FdieVGE6osW |
|---|---|
| Name | Succinic acid, 2-chlorophenyl 2-octyl 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/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3 |
| InChIKey | GCWMZTSXXYRRGI-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C1=CC(Cl)=C(C=C1)OC(=O)CCC(OC(CCCCCC)C)=O |