| SpectraBase Compound ID | F1zN24zgylF |
|---|---|
| InChI | InChI=1S/C17H23ClO4/c1-2-3-13-21-16(19)11-5-4-6-12-17(20)22-15-10-8-7-9-14(15)18/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | PCZCEUWJAPLJGX-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 | Aq0PvCcd78 |
|---|---|
| Name | Pimelic acid, butyl 2-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)11-5-4-6-12-17(20)22-15-10-8-7-9-14(15)18/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | PCZCEUWJAPLJGX-UHFFFAOYSA-N |
| Molecular Weight | 326.820 g/mol |
| SMILES | C1=CC(Cl)=C(OC(=O)CCCCCC(OCCCC)=O)C=C1 |