| SpectraBase Compound ID | J42AShX7YuS |
|---|---|
| InChI | InChI=1S/C13H25ClO2/c1-3-5-8-12(4-2)11-16-13(15)9-6-7-10-14/h12H,3-11H2,1-2H3 |
| InChIKey | YLXGXDXRKQNWQL-UHFFFAOYSA-N |
| Mol Weight | 248.79 g/mol |
| Molecular Formula | C13H25ClO2 |
| Exact Mass | 248.154308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuV6JF0areI |
|---|---|
| Name | 5-Chloropentanoic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.154307743 u |
| Formula | C13H25ClO2 |
| InChI | InChI=1S/C13H25ClO2/c1-3-5-8-12(4-2)11-16-13(15)9-6-7-10-14/h12H,3-11H2,1-2H3 |
| InChIKey | YLXGXDXRKQNWQL-UHFFFAOYSA-N |
| Molecular Weight | 248.794 g/mol |
| SMILES | C(OC(CCCCCl)=O)C(CCCC)CC |