| SpectraBase Compound ID | 1WPUKQBwaND |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-2-3-4-12-22-17(20)9-6-10-18(21)23-13-11-15-7-5-8-16(19)14-15/h5,7-8,14H,2-4,6,9-13H2,1H3 |
| InChIKey | FKHVPLNRUFXJHN-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DA2qmT8GrUX |
|---|---|
| Name | Glutaric acid, 2-(3-chlorophenyl)ethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-2-3-4-12-22-17(20)9-6-10-18(21)23-13-11-15-7-5-8-16(19)14-15/h5,7-8,14H,2-4,6,9-13H2,1H3 |
| InChIKey | FKHVPLNRUFXJHN-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(OCCC1=CC(=CC=C1)Cl)(=O)CCCC(OCCCCC)=O |