| SpectraBase Compound ID | 3C20GpgPyPa |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-3-11(4-2)13(15)16-9-10-6-5-7-12(14)8-10/h5-8,11H,3-4,9H2,1-2H3 |
| InChIKey | OWPGHOVLYWQQLY-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C13H17ClO2 |
| Exact Mass | 240.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XtTITYsYCL |
|---|---|
| Name | 2-Ethylbutyric acid, 3-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.091707485 u |
| Formula | C13H17ClO2 |
| InChI | InChI=1S/C13H17ClO2/c1-3-11(4-2)13(15)16-9-10-6-5-7-12(14)8-10/h5-8,11H,3-4,9H2,1-2H3 |
| InChIKey | OWPGHOVLYWQQLY-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | C(=O)(OCC1=CC(=CC=C1)Cl)C(CC)CC |