| SpectraBase Compound ID | 6joqWh46CU2 |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-2-17-11-7-8-12-18(17)25-20(23)14-13-19(22)24-16-10-6-4-3-5-9-15-21/h7-8,11-12H,2-6,9-10,13-16H2,1H3 |
| InChIKey | XJGUFYVXYGVBHH-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 | 1qyBcXHtqDe |
|---|---|
| Name | Succinic acid, 8-chlorooctyl 2-ethylphenyl 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/c1-2-17-11-7-8-12-18(17)25-20(23)14-13-19(22)24-16-10-6-4-3-5-9-15-21/h7-8,11-12H,2-6,9-10,13-16H2,1H3 |
| InChIKey | XJGUFYVXYGVBHH-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC=1C(CC)=CC=CC1)=O |