| SpectraBase Compound ID | 7FGb00RCIK2 |
|---|---|
| InChI | InChI=1S/C9H12ClF3O2/c1-5(14)8(2,3)7(15)4-6(10)9(11,12)13/h4,7,15H,1-3H3/b6-4+ |
| InChIKey | XHDKIKPZFAOZEL-GQCTYLIASA-N |
| Mol Weight | 244.64 g/mol |
| Molecular Formula | C9H12ClF3O2 |
| Exact Mass | 244.047792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VdMPCP6l6Y |
|---|---|
| Name | 5-Hepten-2-one, 6-chloro-7,7,7-trifluoro-4-hydroxy-3,3-dimethyl- |
| CAS Registry Number | 125001-36-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H12ClF3O2 |
| InChI | InChI=1S/C9H12ClF3O2/c1-5(14)8(2,3)7(15)4-6(10)9(11,12)13/h4,7,15H,1-3H3/b6-4+ |
| InChIKey | XHDKIKPZFAOZEL-GQCTYLIASA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |