| SpectraBase Compound ID | KtEpru0OAbe |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-2-3-4-5-6-14-24-19(22)11-8-12-20(23)25-15-13-17-9-7-10-18(21)16-17/h7,9-10,16H,2-6,8,11-15H2,1H3 |
| InChIKey | FOVRPNDKBJKQJF-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 | 1CiTbdfDmnl |
|---|---|
| Name | Glutaric acid, 2-(3-chlorophenyl)ethyl heptyl 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/c1-2-3-4-5-6-14-24-19(22)11-8-12-20(23)25-15-13-17-9-7-10-18(21)16-17/h7,9-10,16H,2-6,8,11-15H2,1H3 |
| InChIKey | FOVRPNDKBJKQJF-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(OCCC1=CC(=CC=C1)Cl)(=O)CCCC(OCCCCCCC)=O |