| SpectraBase Compound ID | 9aaZV9GIrjI |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-13(4-2)12-21-16(19)9-6-10-17(20)22-15-8-5-7-14(18)11-15/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3 |
| InChIKey | HALDCCLQIKQUCL-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 | 5gXPcPlxglI |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl 2-ethylbutyl 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/c1-3-13(4-2)12-21-16(19)9-6-10-17(20)22-15-8-5-7-14(18)11-15/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3 |
| InChIKey | HALDCCLQIKQUCL-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OCC(CC)CC)=O |