| SpectraBase Compound ID | 9spRs3ovsFC |
|---|---|
| InChI | InChI=1S/C8H9ClO2/c1-2-3-4-7-11-8(10)5-6-9/h1,3-4H,5-7H2 |
| InChIKey | JBIDPFGDHSPIBB-UHFFFAOYSA-N |
| Mol Weight | 172.61 g/mol |
| Molecular Formula | C8H9ClO2 |
| Exact Mass | 172.029107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Cq9dX1XLHO |
|---|---|
| Name | 3-Chloropropionic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.029107228 u |
| Formula | C8H9ClO2 |
| InChI | InChI=1S/C8H9ClO2/c1-2-3-4-7-11-8(10)5-6-9/h1,3-4H,5-7H2 |
| InChIKey | JBIDPFGDHSPIBB-UHFFFAOYSA-N |
| Molecular Weight | 172.611 g/mol |
| SMILES | C#CC=CCOC(CCCl)=O |