| SpectraBase Compound ID | GDwQjgDmFxy |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-16-10-9-11-18(17(16)2)25-20(23)13-12-19(22)24-15-8-6-4-3-5-7-14-21/h9-11H,3-8,12-15H2,1-2H3 |
| InChIKey | XCCQPUKILBFURL-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rO6IL4SEwa |
|---|---|
| Name | Succinic acid, 8-chlorooctyl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.175437110 u |
| Formula | C20H29ClO4 |
| InChI | InChI=1S/C20H29ClO4/c1-16-10-9-11-18(17(16)2)25-20(23)13-12-19(22)24-15-8-6-4-3-5-7-14-21/h9-11H,3-8,12-15H2,1-2H3 |
| InChIKey | XCCQPUKILBFURL-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC1=C(C(C)=CC=C1)C)=O |