| SpectraBase Compound ID | At8Zi8NqIyK |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-2-3-11-21-16(19)8-5-9-17(20)22-12-10-14-6-4-7-15(18)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3 |
| InChIKey | VLYNRUOMBXDTAY-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 | FiO971NftAv |
|---|---|
| Name | Glutaric acid, butyl 2-(3-chlorophenyl)ethyl 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/c1-2-3-11-21-16(19)8-5-9-17(20)22-12-10-14-6-4-7-15(18)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3 |
| InChIKey | VLYNRUOMBXDTAY-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(OCCC1=CC(=CC=C1)Cl)(=O)CCCC(OCCCC)=O |