| SpectraBase Compound ID | Gb0JP5a2mh2 |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-4-5-11-21-16(19)7-6-8-17(20)22-15-12-13(2)9-10-14(15)18/h9-10,12H,3-8,11H2,1-2H3 |
| InChIKey | AKVKXVHUODQQQY-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 | 74ZzQzBce46 |
|---|---|
| Name | Glutaric acid, 2-chloro-5-methylphenyl 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)22-15-12-13(2)9-10-14(15)18/h9-10,12H,3-8,11H2,1-2H3 |
| InChIKey | AKVKXVHUODQQQY-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C1(OC(=O)CCCC(OCCCCC)=O)=C(C=CC(=C1)C)Cl |