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2-NITRO-2-BUTENE(27748-48-7) 1H NMR
Product Name2-NITRO-2-BUTENE
CAS27748-48-7
Molecular FormulaC4H7NO2
Molecular Weight101.1
InChIInChI=1S/C4H7NO2/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3+
InChIKey DAHZYRVPEHDLPG-ONEGZZNKSA-N
SmilesC/C(/[N+]([O-])=O)=C\C
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Parameter ppm Hz
D(A) 7.18 D(B) 2.14 D(C) 1.93 J(A,B) -1.00 J(A,C) 7.3 J(B,C) 1.2 DESCOTES,G. ET AL. BULL.SOC.CHIM.FR. 1970, 282 J(A,B) MAY BE NEGATIVE.Spectral Code: 1H NMR : parameter in CCl4