| SpectraBase Compound ID | 748lDxo4mvd |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-2-3-4-7-13-21-16(19)11-8-12-17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10H,2-4,7-8,11-13H2,1H3 |
| InChIKey | NKRJBONFFRRJLW-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 | JyGhOIeLwtq |
|---|---|
| Name | Glutaric acid, 2-chlorophenyl hexyl 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/c1-2-3-4-7-13-21-16(19)11-8-12-17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10H,2-4,7-8,11-13H2,1H3 |
| InChIKey | NKRJBONFFRRJLW-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=CC=C1Cl)=O)=O |