| SpectraBase Compound ID | 6136cSv4lBn |
|---|---|
| InChI | InChI=1S/C17H17ClO2/c1-2-3-6-13-9-11-14(12-10-13)17(19)20-16-8-5-4-7-15(16)18/h4-5,7-12H,2-3,6H2,1H3 |
| InChIKey | KCSOALORRLGOQF-UHFFFAOYSA-N |
| Mol Weight | 288.77 g/mol |
| Molecular Formula | C17H17ClO2 |
| Exact Mass | 288.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MQg1IYkbcK |
|---|---|
| Name | 4-Butylbenzoic acid, 2-.+/-.chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.091707485 u |
| Formula | C17H17ClO2 |
| InChI | InChI=1S/C17H17ClO2/c1-2-3-6-13-9-11-14(12-10-13)17(19)20-16-8-5-4-7-15(16)18/h4-5,7-12H,2-3,6H2,1H3 |
| InChIKey | KCSOALORRLGOQF-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1Cl)OC(=O)C1=CC=C(CCCC)C=C1 |