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Trimethylene selenide(287-28-5) 1H NMR
Product NameTrimethylene selenide
CAS287-28-5
Molecular Formula
Molecular Weight
InChIInChI=1S/C3H6Se/c1-2-4-3-1/h1-3H2
InChIKey DXXRZJJTOQMGQF-UHFFFAOYSA-N
SmilesC1[Se]CC1
-
Parameter ppm Hz
D(A) 3.299 D(B) 3.115 J(A,A') -12.10 J(A,B) 8.70 J(A,B') 6.47 J(A,B'') 8.70 J(A,B''') 6.47 J(A',B) 6.47 J(A',B') 8.70 J(A',B'') 6.47 J(A',B''') 8.70 J(B,B') -7.91 J(B,B'') 0.82 J(B,B''') -0.41 J(B',B'') -0.41 J(B',B''') 0.82 J(B'',B''') -7.91 MONIZ,W.B. J.PHYS.CHEM. 73, 1124 (1969)Spectral Code: 1H NMR : parameter in CCl4