| SpectraBase Compound ID | JE2OL5J1NV8 |
|---|---|
| InChI | InChI=1S/C13H25ClO2/c1-3-5-6-8-12(7-4-2)11-16-13(15)9-10-14/h12H,3-11H2,1-2H3 |
| InChIKey | DPHYFSAHCBMCFT-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 | 117gyyO4X3U |
|---|---|
| Name | 3-Chloropropionic acid, 2-propylheptyl 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/c1-3-5-6-8-12(7-4-2)11-16-13(15)9-10-14/h12H,3-11H2,1-2H3 |
| InChIKey | DPHYFSAHCBMCFT-UHFFFAOYSA-N |
| Molecular Weight | 248.794 g/mol |
| SMILES | C(CC(OCC(CCCCC)CCC)=O)Cl |