| SpectraBase Compound ID | FmITDxIhzzg |
|---|---|
| InChI | InChI=1S/C8H9Cl3O/c1-2-3-4-5-6-7(12)8(9,10)11/h2-4H2,1H3 |
| InChIKey | PQTHSZROCKIPIR-UHFFFAOYSA-N |
| Mol Weight | 227.52 g/mol |
| Molecular Formula | C8H9Cl3O |
| Exact Mass | 225.971898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HncbEUpGSXM |
|---|---|
| Name | 1,1,1-Trichloro-oct-3-yn-2-one |
| Comments | REASSIGNED (W.M.) |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H9Cl3O |
| InChI | InChI=1S/C8H9Cl3O/c1-2-3-4-5-6-7(12)8(9,10)11/h2-4H2,1H3 |
| InChIKey | PQTHSZROCKIPIR-UHFFFAOYSA-N |
| Instrument Name | Varian XL-300 |
| Literature Reference | P.J. Stang, M. Boeshar, H. Wingert, J. Am. Chem. Soc. 110, 3272 (1988). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |