Product Name 3-METHYL-1-NITROBUT-1-ENE
CAS27675-38-3
MFC5H9NO2
MW115.13
InChIInChI=1S/C5H9NO2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3/b4-3+
InChIKeyARGNGGCUTGQKIA-ONEGZZNKSA-N
SmilesC(/[N+]([O-])=O)=C\C(C)C
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Parameter ppm Hz D(A) 1.14 D(B) 2.59 D(C) 7.17 D(D) 6.89 J(A,B) 6.6 J(A,C) 0.0 J(A,D) 0.0 J(B,C) 6.9 J(B,D) -0.9 J(C,D) 13.6 DESCOTES,G. ET AL. BULL.SOC.CHIM.FR. 1970, 282
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