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1,1,1-Trichloro-oct-3-yn-2-one

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1,1,1-Trichloro-oct-3-yn-2-one
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

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 © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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