| SpectraBase Compound ID | Dcn2qMUf9zF |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-12(2)13(3)22-17(20)6-4-5-16(19)21-11-14-7-9-15(18)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3 |
| InChIKey | PLVBJCCCMNOVDM-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 | GvjPkRxbwoE |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 4-chlorobenzyl 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/c1-12(2)13(3)22-17(20)6-4-5-16(19)21-11-14-7-9-15(18)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3 |
| InChIKey | PLVBJCCCMNOVDM-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |