| SpectraBase Compound ID | 8KzfwkPYcMv |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-10(2)11-5-7-12(8-6-11)16-13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | VZSJRZQELOWJTH-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 | 8oUAy1CC9GY |
|---|---|
| Name | 4-Chlorobutyric acid, 4-isopropylphenyl 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/c1-10(2)11-5-7-12(8-6-11)16-13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | VZSJRZQELOWJTH-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | C(Cl)CCC(=O)OC1=CC=C(C(C)C)C=C1 |