| SpectraBase Compound ID | F8uFbZsUmt7 |
|---|---|
| InChI | InChI=1S/C11H20Cl2O2/c12-8-4-1-2-6-10-15-11(14)7-3-5-9-13/h1-10H2 |
| InChIKey | IBZXCJXFUWGNCJ-UHFFFAOYSA-N |
| Mol Weight | 255.18 g/mol |
| Molecular Formula | C11H20Cl2O2 |
| Exact Mass | 254.084035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVqmCXIo67r |
|---|---|
| Name | 5-Clorovaleric acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.084035282 u |
| Formula | C11H20Cl2O2 |
| InChI | InChI=1S/C11H20Cl2O2/c12-8-4-1-2-6-10-15-11(14)7-3-5-9-13/h1-10H2 |
| InChIKey | IBZXCJXFUWGNCJ-UHFFFAOYSA-N |
| Molecular Weight | 255.185 g/mol |
| SMILES | C(OCCCCCCCl)(CCCCCl)=O |