| SpectraBase Compound ID | 3Od9flN26Zi |
|---|---|
| InChI | InChI=1S/C11H19ClO3/c1-3-9(2)7-8-15-11(14)6-4-5-10(12)13/h9H,3-8H2,1-2H3 |
| InChIKey | KYQCVIGKDYKTSO-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 | oPZv9aCvGS |
|---|---|
| Name | Glutaric acid, monochloride, 3-methylpentyl 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/c1-3-9(2)7-8-15-11(14)6-4-5-10(12)13/h9H,3-8H2,1-2H3 |
| InChIKey | KYQCVIGKDYKTSO-UHFFFAOYSA-N |
| Molecular Weight | 234.723 g/mol |
| SMILES | CC(CCOC(CCCC(Cl)=O)=O)CC |