| SpectraBase Compound ID | 8VDqLfjAO20 |
|---|---|
| InChI | InChI=1S/C8H13ClO2/c1-7(2)4-6-11-8(10)3-5-9/h4H,3,5-6H2,1-2H3 |
| InChIKey | JQSINDIMIDHUQE-UHFFFAOYSA-N |
| Mol Weight | 176.64 g/mol |
| Molecular Formula | C8H13ClO2 |
| Exact Mass | 176.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWkthAFecFu |
|---|---|
| Name | 3-Chloropropionic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.060407357 u |
| Formula | C8H13ClO2 |
| InChI | InChI=1S/C8H13ClO2/c1-7(2)4-6-11-8(10)3-5-9/h4H,3,5-6H2,1-2H3 |
| InChIKey | JQSINDIMIDHUQE-UHFFFAOYSA-N |
| Molecular Weight | 176.643 g/mol |
| SMILES | CC(C)=CCOC(CCCl)=O |