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2,4-Dichloro-1-pentene(25708-25-2) 1H NMR
Product Name2,4-Dichloro-1-pentene
CAS25708-25-2
Molecular FormulaC5H8Cl2
Molecular Weight139.02
InChIInChI=1S/C5H8Cl2/c1-4(6)3-5(2)7/h5H,1,3H2,2H3
InChIKey AGPZKPFMCYJTRF-UHFFFAOYSA-N
SmilesC=C(Cl)CC(Cl)C
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Parameter ppm Hz
D(A) 5.021 D(B) 4.798 D(C) 4.026 D(D) 2.373 D(E) 2.175 D(F) 1.116 J(A,B) -1.42 J(A,C) 0.00 J(A,D) -0.12 J(A,E) -0.35 J(A,F) 0.00 J(B,C) 0.00 J(B,D) -0.93 J(B,E) -1.06 J(B,F) 0.00 J(C,D) 7.92 J(C,E) 5.76 J(C,F) 6.60 J(D,E) -14.58 J(D,F) 0.00 J(E,F) 0.00 GURATO,G. & RIGO,A. ORG.MAGN.RESON. 3, 433 (1971)Spectral Code: 1H NMR : parameter in benzene-d6