| SpectraBase Compound ID | Frk7X5njAy4 |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-6-12-22-17(20)8-7-9-18(21)23-15-10-11-16(19)14(2)13-15/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | GFPCUALOQHVPJY-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIJAhgUjcId |
|---|---|
| Name | Glutaric acid, 4-chloro-3-methylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-6-12-22-17(20)8-7-9-18(21)23-15-10-11-16(19)14(2)13-15/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | GFPCUALOQHVPJY-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)Cl)=O)=O |