| SpectraBase Compound ID | AnKPqQ2qj07 |
|---|---|
| InChI | InChI=1S/C20H37ClO4/c1-3-5-13-18(12-4-2)25-20(23)15-14-19(22)24-17-11-9-7-6-8-10-16-21/h18H,3-17H2,1-2H3 |
| InChIKey | NVSQVVAIBZCYLE-UHFFFAOYSA-N |
| Mol Weight | 377.0 g/mol |
| Molecular Formula | C20H37ClO4 |
| Exact Mass | 376.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFqUmWBqZEr |
|---|---|
| Name | Succinic acid, 8-chlorooctyl 4-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.238037367 u |
| Formula | C20H37ClO4 |
| InChI | InChI=1S/C20H37ClO4/c1-3-5-13-18(12-4-2)25-20(23)15-14-19(22)24-17-11-9-7-6-8-10-16-21/h18H,3-17H2,1-2H3 |
| InChIKey | NVSQVVAIBZCYLE-UHFFFAOYSA-N |
| Molecular Weight | 376.965 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC(CCCC)CCC)=O |