| SpectraBase Compound ID | EG31BHiTJKL |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-10-6-7-12(9-11(10)2)16-13(15)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | KUKHACKUUMFXOZ-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 | 1XYg8VRqW9R |
|---|---|
| Name | 5-Clorovaleric acid, 3,4-dimethylphenyl 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/c1-10-6-7-12(9-11(10)2)16-13(15)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | KUKHACKUUMFXOZ-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | C(OC=1C=C(C(C)=CC1)C)(CCCCCl)=O |