| SpectraBase Compound ID | JkZS8qQEMjr |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-2-3-13-21-16(19)7-5-4-6-8-17(20)22-15-11-9-14(18)10-12-15/h9-12H,2-8,13H2,1H3 |
| InChIKey | OQPAUUXZBAWKIZ-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 | CcrQLq8Nd34 |
|---|---|
| Name | Pimelic acid, butyl 4-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/c1-2-3-13-21-16(19)7-5-4-6-8-17(20)22-15-11-9-14(18)10-12-15/h9-12H,2-8,13H2,1H3 |
| InChIKey | OQPAUUXZBAWKIZ-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C(OC1=CC=C(C=C1)Cl)(=O)CCCCCC(OCCCC)=O |