| SpectraBase Compound ID | 4QjZjUUG9SH |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-3-4-5-8-14(2)22-17(20)11-7-12-18(21)23-16-10-6-9-15(19)13-16/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3 |
| InChIKey | UNRGUWREPPOFJS-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 | KRgE6AIKDOh |
|---|---|
| Name | Glutaric acid, hept-2-yl 3-chlorophenyl 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/c1-3-4-5-8-14(2)22-17(20)11-7-12-18(21)23-16-10-6-9-15(19)13-16/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3 |
| InChIKey | UNRGUWREPPOFJS-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=CC=CC(=C1)Cl)=O |