| SpectraBase Compound ID | 7QCZ2xErcrh |
|---|---|
| InChI | InChI=1S/C7H13ClO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3 |
| InChIKey | YXYWJZNXZGYLNO-UHFFFAOYSA-N |
| Mol Weight | 164.63 g/mol |
| Molecular Formula | C7H13ClO2 |
| Exact Mass | 164.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Sw7Gw6qD0T |
|---|---|
| Name | Propanoic acid, 2-chloro-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.060407357 u |
| Formula | C7H13ClO2 |
| InChI | InChI=1S/C7H13ClO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3 |
| InChIKey | YXYWJZNXZGYLNO-UHFFFAOYSA-N |
| Molecular Weight | 164.632 g/mol |
| SMILES | CC(C(OC(C)(C)C)=O)Cl |