| SpectraBase Compound ID | L2nHZPThVfV |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c1-2-18-11-9-12-19(17-18)26-21(24)14-10-13-20(23)25-16-8-6-4-3-5-7-15-22/h9,11-12,17H,2-8,10,13-16H2,1H3 |
| InChIKey | CZMKKOGSYMIGNY-UHFFFAOYSA-N |
| Mol Weight | 382.93 g/mol |
| Molecular Formula | C21H31ClO4 |
| Exact Mass | 382.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMnTG74qdzL |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.191087174 u |
| Formula | C21H31ClO4 |
| InChI | InChI=1S/C21H31ClO4/c1-2-18-11-9-12-19(17-18)26-21(24)14-10-13-20(23)25-16-8-6-4-3-5-7-15-22/h9,11-12,17H,2-8,10,13-16H2,1H3 |
| InChIKey | CZMKKOGSYMIGNY-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC1=CC=CC(CC)=C1)=O |