| SpectraBase Compound ID | CxqPYAxxIm7 |
|---|---|
| InChI | InChI=1S/C9H9ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3/i9+1 |
| InChIKey | LWGNDIMNCPMZOF-QBZHADDCSA-N |
| Mol Weight | 169.62 g/mol |
| Molecular Formula | C813CH9ClO |
| Exact Mass | 169.037547 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7dgVKgYlQ4H |
|---|---|
| Name | 1-(2'-Chlorophenyl)-2-(13-C)-propan-2-one |
| Comments | Original formula: C8[13C]H9ClO |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3/i9+1 |
| InChIKey | LWGNDIMNCPMZOF-QBZHADDCSA-N |
| Molecular Weight | 169.615 g/mol |
| SMILES | c1([13c](cccc1)Cl)CC(=O)C |
| SPLASH | splash10-001l-5900000000-5c4cbd772d98c94f0fe1 |
| Source of Spectrum | D8-325-759-13 |
| Wiley ID | 1514668 |