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1-Chloro-3-chloromethyl-4-methylbicyclo[2.1.1]hexane
SpectraBase Compound ID DKKjxHI6WrT
InChI InChI=1S/C8H12Cl2/c1-7-4-8(10,5-7)2-6(7)3-9/h6H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKey LOAFWQXZXFXKQB-BIIVOSGPSA-N
Mol Weight 179.09 g/mol
Molecular Formula C8H12Cl2
Exact Mass 178.031606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVtHBbACb6y
Name 1-CHLORO-3-CHLOROMETHYL-4-METHYLBICYCLO-[2.1.1]-HEXANE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12Cl2
InChI InChI=1S/C8H12Cl2/c1-7-4-8(10,5-7)2-6(7)3-9/h6H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKey LOAFWQXZXFXKQB-BIIVOSGPSA-N
Literature Reference Author T.STROETER,O.JAROSCH,G.SZEIMIES
Literature Reference Citation CHEM.EUR.J.,5,1422(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990503)5:5<1422::aid-chem1422>3.3.co;2-5
Molecular Weight 179.089 g/mol
Solvent CDCl3
Source File Reference UWRU9654