| SpectraBase Compound ID | 7ftaFAPShPS |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-13(2)12-22-17(20)8-4-7-16(19)21-10-9-14-5-3-6-15(18)11-14/h3,5-6,11,13H,4,7-10,12H2,1-2H3 |
| InChIKey | BCYGDOPIYDSZLR-UHFFFAOYSA-N |
| Mol Weight | 326.82 g/mol |
| Molecular Formula | C17H23ClO4 |
| Exact Mass | 326.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJJaMyplw6N |
|---|---|
| Name | Glutaric acid, 2-(3-chlorophenyl)ethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.128486917 u |
| Formula | C17H23ClO4 |
| InChI | InChI=1S/C17H23ClO4/c1-13(2)12-22-17(20)8-4-7-16(19)21-10-9-14-5-3-6-15(18)11-14/h3,5-6,11,13H,4,7-10,12H2,1-2H3 |
| InChIKey | BCYGDOPIYDSZLR-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(OCCC1=CC(=CC=C1)Cl)(=O)CCCC(OCC(C)C)=O |