| SpectraBase Compound ID | 11ouE7X68AH |
|---|---|
| InChI | InChI=1S/C10H17ClO3/c1-3-8(2)7-14-10(13)6-4-5-9(11)12/h8H,3-7H2,1-2H3 |
| InChIKey | WSVUQWCOCGLWAW-UHFFFAOYSA-N |
| Mol Weight | 220.7 g/mol |
| Molecular Formula | C10H17ClO3 |
| Exact Mass | 220.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ln7igKgT1RS |
|---|---|
| Name | Glutaric acid, monochloride, 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.086622104 u |
| Formula | C10H17ClO3 |
| InChI | InChI=1S/C10H17ClO3/c1-3-8(2)7-14-10(13)6-4-5-9(11)12/h8H,3-7H2,1-2H3 |
| InChIKey | WSVUQWCOCGLWAW-UHFFFAOYSA-N |
| Molecular Weight | 220.696 g/mol |
| SMILES | CCC(C)COC(=O)CCCC(Cl)=O |