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chlorocyclopropane(7393-45-5) 1H NMR
Product Namechlorocyclopropane
CAS7393-45-5
Molecular FormulaC3H5Cl
Molecular Weight76.52
InChIInChI=1S/C3H5Cl/c4-3-1-2-3/h3H,1-2H2
InChIKey VEZNCHDBSQWUHQ-UHFFFAOYSA-N
SmilesC1(Cl)CC1
-
Parameter ppm Hz
D(A) 2.962 D(B) 0.865 D(C) 0.740 J(A,B) 7.01 J(A,B') 7.01 J(A,C) 3.58 J(A,C') 3.58 J(B,B') 10.26 J(B,C) -6.01 J(B,C') 7.14 J(B',C) 7.14 J(B',C') -6.01 J(C,C') 10.58 CRECELY,K.M. ET AL. J.MOL.SPECTROSC. 30, 184 (1969) J(C-13,A):192.12HZ, J(C-13,B) & J(C-13,B'):162.55HZ, J(C-13,C) & J(C-13,C'):164.49HZ. ASSUMED J(CIS) > J(TRANS).Spectral Code: 1H NMR : parameter neat