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1,1,2,2,4-Pentachloro-butane

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1,1,2,2,4-Pentachloro-butane
SpectraBase Compound ID AtZgcNTmINv
InChI InChI=1S/C4H5Cl5/c5-2-1-4(8,9)3(6)7/h3H,1-2H2
InChIKey JITSWUFGPFIMFG-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C4H5Cl5
Exact Mass 227.883389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7WknrSAK0P
Name 1,1,2,2,4-Pentachloro-butane
CAS Registry Number 34867-74-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H5Cl5
InChI InChI=1S/C4H5Cl5/c5-2-1-4(8,9)3(6)7/h3H,1-2H2
InChIKey JITSWUFGPFIMFG-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference F.K. Velichko, E.C. Chukovskaya, Org. Magn. Resonance 7, 361 (1975).
NMR Standard CHCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid