| SpectraBase Compound ID | 67rnhlSMreu |
|---|---|
| InChI | InChI=1S/C14H17ClO4/c1-3-18-13(16)5-4-6-14(17)19-12-9-10(2)7-8-11(12)15/h7-9H,3-6H2,1-2H3 |
| InChIKey | ADJNYPZYTVRXJH-UHFFFAOYSA-N |
| Mol Weight | 284.74 g/mol |
| Molecular Formula | C14H17ClO4 |
| Exact Mass | 284.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYrdFSlz1QD |
|---|---|
| Name | Glutaric acid, 2-chloro-5-methylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.081536723 u |
| Formula | C14H17ClO4 |
| InChI | InChI=1S/C14H17ClO4/c1-3-18-13(16)5-4-6-14(17)19-12-9-10(2)7-8-11(12)15/h7-9H,3-6H2,1-2H3 |
| InChIKey | ADJNYPZYTVRXJH-UHFFFAOYSA-N |
| Molecular Weight | 284.739 g/mol |
| SMILES | C1(OC(=O)CCCC(=O)OCC)=C(C=CC(=C1)C)Cl |