| SpectraBase Compound ID | 3KV20AHZ7Eo |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-4-15(12(2)3)22-17(20)10-6-9-16(19)21-14-8-5-7-13(18)11-14/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3 |
| InChIKey | SYYFOTMZOJRHQN-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 | I1fSPiBLfb0 |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 3-chlorophenyl 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/c1-4-15(12(2)3)22-17(20)10-6-9-16(19)21-14-8-5-7-13(18)11-14/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3 |
| InChIKey | SYYFOTMZOJRHQN-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1=CC=CC(=C1)Cl)=O |