| SpectraBase Compound ID | BEGQP4koYxl |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-3-6-13(2)12-21-16(19)9-5-10-17(20)22-15-8-4-7-14(18)11-15/h4,7-8,11,13H,3,5-6,9-10,12H2,1-2H3 |
| InChIKey | QUHPEIYXPANYLI-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 | FbZFLy4TmV2 |
|---|---|
| Name | Glutaric acid, 3-chlorophenyl 2-methylpentyl 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/c1-3-6-13(2)12-21-16(19)9-5-10-17(20)22-15-8-4-7-14(18)11-15/h4,7-8,11,13H,3,5-6,9-10,12H2,1-2H3 |
| InChIKey | QUHPEIYXPANYLI-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OCC(CCC)C)=O |