| SpectraBase Compound ID | BKCn7PntU26 |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3 |
| InChIKey | FPJPUENFLJEWEM-UHFFFAOYSA-N |
| Mol Weight | 268.78 g/mol |
| Molecular Formula | C15H21ClO2 |
| Exact Mass | 268.123008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3VTLshf7fK |
|---|---|
| Name | 2-Chlorobenzoic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.123007614 u |
| Formula | C15H21ClO2 |
| InChI | InChI=1S/C15H21ClO2/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3 |
| InChIKey | FPJPUENFLJEWEM-UHFFFAOYSA-N |
| SMILES | C(OC(C1=CC=CC=C1Cl)=O)C(CCCC)CC |