| SpectraBase Compound ID | 8FeuNMbyUAG |
|---|---|
| InChI | InChI=1S/C11H19ClO3/c1-4-9(8(2)3)15-11(14)7-5-6-10(12)13/h8-9H,4-7H2,1-3H3 |
| InChIKey | BPPSKCPYIZOEKF-UHFFFAOYSA-N |
| Mol Weight | 234.72 g/mol |
| Molecular Formula | C11H19ClO3 |
| Exact Mass | 234.102272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PZzgEO4kFV |
|---|---|
| Name | Glutaric acid, monochloride, 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.102272169 u |
| Formula | C11H19ClO3 |
| InChI | InChI=1S/C11H19ClO3/c1-4-9(8(2)3)15-11(14)7-5-6-10(12)13/h8-9H,4-7H2,1-3H3 |
| InChIKey | BPPSKCPYIZOEKF-UHFFFAOYSA-N |
| Molecular Weight | 234.723 g/mol |
| SMILES | CCC(OC(CCCC(Cl)=O)=O)C(C)C |