1-NITROBUT-1-ENE
Product Name
1-NITROBUT-1-ENE
CAS27675-37-2
MFC4H7NO2
MW101.1
InChIInChI=1S/C4H7NO2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/b4-3+
InChIKeyUTANVCZNJLPXGK-ONEGZZNKSA-N
SmilesC(/[N+]([O-])=O)=C\CC
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Parameter ppm Hz
D(A) 1.26
D(B) 2.33
D(C) 7.24
D(D) 6.92
J(A,B) 7.3
J(A,C) 0.0
J(A,D) 0.0
J(B,C) 6.7
J(B,D) -1.5
J(C,D) 13.5
DESCOTES,G. ET AL. BULL.SOC.CHIM.FR. 1970, 282
Spectral Code: 1H NMR : parameter in CCl4