| SpectraBase Compound ID | 3esdhVZzOtZ |
|---|---|
| InChI | InChI=1S/C9H13ClO2/c1-3-5-8(4-2)12-9(11)6-7-10/h8H,4,6-7H2,1-2H3 |
| InChIKey | GEBZZBIUKLVCOU-UHFFFAOYSA-N |
| Mol Weight | 188.65 g/mol |
| Molecular Formula | C9H13ClO2 |
| Exact Mass | 188.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Te3TdGYFvg |
|---|---|
| Name | 3-Chloropropionic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.060407357 u |
| Formula | C9H13ClO2 |
| InChI | InChI=1S/C9H13ClO2/c1-3-5-8(4-2)12-9(11)6-7-10/h8H,4,6-7H2,1-2H3 |
| InChIKey | GEBZZBIUKLVCOU-UHFFFAOYSA-N |
| Molecular Weight | 188.654 g/mol |
| SMILES | CCC(C#CC)OC(CCCl)=O |