| SpectraBase Compound ID | 8DqMQXbbXyu |
|---|---|
| InChI | InChI=1S/C9H15ClO3/c1-7(2)5-6-13-9(12)4-3-8(10)11/h7H,3-6H2,1-2H3 |
| InChIKey | NVHUMKDRBJJLIC-UHFFFAOYSA-N |
| Mol Weight | 206.67 g/mol |
| Molecular Formula | C9H15ClO3 |
| Exact Mass | 206.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnRv4qZ8wsa |
|---|---|
| Name | Succinic acid, monochloride, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.070972040 u |
| Formula | C9H15ClO3 |
| InChI | InChI=1S/C9H15ClO3/c1-7(2)5-6-13-9(12)4-3-8(10)11/h7H,3-6H2,1-2H3 |
| InChIKey | NVHUMKDRBJJLIC-UHFFFAOYSA-N |
| Molecular Weight | 206.669 g/mol |
| SMILES | C(C(OCCC(C)C)=O)CC(Cl)=O |