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1α,3α-Dibromocyclobutane(4934-58-1) 1H NMR
Product Name1α,3α-Dibromocyclobutane
CAS4934-58-1
Molecular FormulaC4H6Br2
Molecular Weight213.9
InChIInChI=1S/C4H6Br2/c5-3-1-4(6)2-3/h3-4H,1-2H2/t3-,4+
InChIKey KEPQZXFTLUPYKL-ZXZARUISSA-N
Smiles[C@@H]1(Br)C[C@H](Br)C1
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Parameter ppm Hz
D(A) 4.126 D(B) 3.273 D(C) 2.917 J(A,A') 0. J(A,B) 7.11 J(A,B') 7.11 J(A,C) 8.84 J(A,C') 8.84 J(A',B) 7.11 J(A',B') 7.11 J(A',C) 8.84 J(A',C') 8.84 J(B,B') 5.57 J(B,C) -12.42 J(B,C') -1.14 J(B',C) -1.14 J(B',C') -12.42 J(C,C') -0.30 WIBERG,K.B. & BARTH,D.E. J.AM.CHEM.SOC. 91, 5124 (1969) J(A,A') : NOT OBSERVABLE.Spectral Code: 1H NMR : parameter in CCl4