| SpectraBase Compound ID | 1pHB9bMILmt |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-4-5-11-21-16(19)7-6-8-17(20)22-15-10-9-14(18)12-13(15)2/h9-10,12H,3-8,11H2,1-2H3 |
| InChIKey | VPWIFGCCNHKJPZ-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 | F9yLGw3vgFM |
|---|---|
| Name | Glutaric acid, 2-methyl-4-chlorophenyl pentyl 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/c1-3-4-5-11-21-16(19)7-6-8-17(20)22-15-10-9-14(18)12-13(15)2/h9-10,12H,3-8,11H2,1-2H3 |
| InChIKey | VPWIFGCCNHKJPZ-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | CCCCCOC(CCCC(OC1=CC=C(C=C1C)Cl)=O)=O |