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2,3,3,4,5,5,6-HEPTACHLORO-1-MONOCHLOROMETHYL-TRICYCLO-[2.2.1.0]-HEPTANE
SpectraBase Compound ID 7Zs8fwvmZjJ
InChI InChI=1S/C8H4Cl8/c9-2-3-1-4(10)7(13,14)5(3,11)6(3,12)8(4,15)16/h1-2H2/t3-,4+,5+,6-
InChIKey ACOKAFNEYXUDNQ-GUCUJZIJSA-N
Mol Weight 383.7 g/mol
Molecular Formula C8H4Cl8
Exact Mass 379.782122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fd0N6TbHUhE
Name 1-Chloromethyl-2,3,3,4,5,5,6-heptachloro-tricyclo(2.2.1.0/2,6/)heptane
CAS Registry Number 50565-63-4
Comments SPECTRUM IN C6H6 ALSO REPORTED IN REF.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H4Cl8
InChI InChI=1S/C8H4Cl8/c9-2-3-1-4(10)7(13,14)5(3,11)6(3,12)8(4,15)16/h1-2H2/t3-,4+,5+,6-
InChIKey ACOKAFNEYXUDNQ-GUCUJZIJSA-N
Instrument Name Special
Literature Reference G.E. Hawkes, R.A. Smith, J.D. Roberts, J. Org. Chem. 39, 1276 (1974).
NMR Standard Cyclohexane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Cyclohexane