| SpectraBase Compound ID | ImqJb2w5tCF |
|---|---|
| InChI | InChI=1S/C8H15ClO2/c1-3-4-7(2)11-8(10)5-6-9/h7H,3-6H2,1-2H3 |
| InChIKey | ZODXJJOAYWVAGY-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C8H15ClO2 |
| Exact Mass | 178.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G439yOjVLny |
|---|---|
| Name | 3-Chloropropanoic acid, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.076057421 u |
| Formula | C8H15ClO2 |
| InChI | InChI=1S/C8H15ClO2/c1-3-4-7(2)11-8(10)5-6-9/h7H,3-6H2,1-2H3 |
| InChIKey | ZODXJJOAYWVAGY-UHFFFAOYSA-N |
| Molecular Weight | 178.659 g/mol |
| SMILES | C(CC(=O)OC(CCC)C)Cl |