| SpectraBase Compound ID | IG9OTuUGgeH |
|---|---|
| InChI | InChI=1S/C14H17ClO2/c1-10(11-6-2-3-7-11)17-14(16)12-8-4-5-9-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3 |
| InChIKey | UWACFJQJRNSYDS-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 | HQT17B95hhd |
|---|---|
| Name | 2-Chlorobenzoic acid, 1-(cyclopentyl)ethyl 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(11-6-2-3-7-11)17-14(16)12-8-4-5-9-13(12)15/h4-5,8-11H,2-3,6-7H2,1H3 |
| InChIKey | UWACFJQJRNSYDS-UHFFFAOYSA-N |
| Molecular Weight | 252.741 g/mol |
| SMILES | C1(CCCC1)C(OC(C1=C(C=CC=C1)Cl)=O)C |