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cis-1-chloro-1,2-dimethylcyclobutane(82861-48-1) 1H NMR
Product Namecis-1-chloro-1,2-dimethylcyclobutane
CAS82861-48-1
Molecular FormulaC6H11Cl
Molecular Weight118.60454
InChIInChI=1/C6H11Cl/c1-5-3-4-6(5,2)7/h5H,3-4H2,1-2H3/t5-,6-/s3
InChIKey WPBXLWOSKMEMKC-FJGCHTOXNA-N
Smiles[C@]1(Cl)(C)CC[C@@H]1C |&1:0,5,r|
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Parameter ppm Hz
D(A) 2.33 D(B) 1.97 D(C) 1.69 D(D) 2.17 D(E) 2.41 D(F) 1.67 D(G) 1.16 J(A,B) 7.7 J(A,C) 6.5 J(A,D) 1.9 J(A,E) -1.1 J(A,F) 0.0 J(A,G) 6.9 J(B,C) -10.9 J(B,D) 8.4 J(B,E) 5.8 J(B,F) 0.0 J(B,G) 0.0 J(C,D) 6.5 J(C,E) 9.5 J(C,F) 0.0 J(C,G) 0.0 J(D,E) -12.0 J(D,F) 0.0 J(D,G) 0.0 J(E,F) 0.0 J(E,G) 0.0 J(F,G) 0.0 HITTICH,R. ORG.MAGN.RESON. 18, 214 (1982)Spectral Code: 1H NMR : parameter in CDCl3