| SpectraBase Compound ID | mcyDaHkt9T |
|---|---|
| InChI | InChI=1S/C7H12Cl2O/c1-2-3-4-5-7(8,9)6-10/h6H,2-5H2,1H3 |
| InChIKey | HWQYCCIUFQMHIB-UHFFFAOYSA-N |
| Mol Weight | 183.08 g/mol |
| Molecular Formula | C7H12Cl2O |
| Exact Mass | 182.02652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vHA70RltdG |
|---|---|
| Name | 2,2-Dichloroheptanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.026520405 u |
| Formula | C7H12Cl2O |
| InChI | InChI=1S/C7H12Cl2O/c1-2-3-4-5-7(8,9)6-10/h6H,2-5H2,1H3 |
| InChIKey | HWQYCCIUFQMHIB-UHFFFAOYSA-N |
| Molecular Weight | 183.078 g/mol |
| SMILES | C(C(CCCCC)(Cl)Cl)=O |