| SpectraBase Compound ID | 4I91exMM4oV |
|---|---|
| InChI | InChI=1S/C14H17ClO2/c1-10(11-4-2-3-5-11)17-14(16)12-6-8-13(15)9-7-12/h6-11H,2-5H2,1H3 |
| InChIKey | IJXUEQUKUJJFHZ-UHFFFAOYSA-N |
| Mol Weight | 252.74 g/mol |
| Molecular Formula | C14H17ClO2 |
| Exact Mass | 252.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tZf6RRGSwn |
|---|---|
| Name | 4-Chlorobenzoic acid, 1-cyclopentylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.091707485 u |
| Formula | C14H17ClO2 |
| InChI | InChI=1S/C14H17ClO2/c1-10(11-4-2-3-5-11)17-14(16)12-6-8-13(15)9-7-12/h6-11H,2-5H2,1H3 |
| InChIKey | IJXUEQUKUJJFHZ-UHFFFAOYSA-N |
| Molecular Weight | 252.741 g/mol |
| SMILES | C1C(CCC1)C(OC(=O)C=1C=CC(Cl)=CC1)C |