| SpectraBase Compound ID | G29gLiM3erO |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-4-6-13(3)21-16(19)7-5-8-17(20)22-14-9-10-15(18)12(2)11-14/h9-11,13H,4-8H2,1-3H3 |
| InChIKey | SCADDUQKJBOYEY-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 | FCuWNrvVzEo |
|---|---|
| Name | Glutaric acid, 4-chloro-3-methylphenyl 2-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/c1-4-6-13(3)21-16(19)7-5-8-17(20)22-14-9-10-15(18)12(2)11-14/h9-11,13H,4-8H2,1-3H3 |
| InChIKey | SCADDUQKJBOYEY-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC(C)CCC)=O |