| SpectraBase Compound ID | A6i7toAWRKe |
|---|---|
| InChI | InChI=1S/C17H16Cl2O2/c1-2-3-4-12-5-7-13(8-6-12)17(20)21-16-11-14(18)9-10-15(16)19/h5-11H,2-4H2,1H3 |
| InChIKey | BBKPXGZQXUBGJC-UHFFFAOYSA-N |
| Mol Weight | 323.22 g/mol |
| Molecular Formula | C17H16Cl2O2 |
| Exact Mass | 322.052735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 171dYTPjdCR |
|---|---|
| Name | 4-Butylbenzoic acid, 2,5-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.052735153 u |
| Formula | C17H16Cl2O2 |
| InChI | InChI=1S/C17H16Cl2O2/c1-2-3-4-12-5-7-13(8-6-12)17(20)21-16-11-14(18)9-10-15(16)19/h5-11H,2-4H2,1H3 |
| InChIKey | BBKPXGZQXUBGJC-UHFFFAOYSA-N |
| Molecular Weight | 323.219 g/mol |
| SMILES | C1=CC(=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCC |