2-Methyl-2-nitropropan-1-ol(76-39-1) IR2
Product Name2-Methyl-2-nitropropan-1-ol
CAS76-39-1
Molecular FormulaC4H9NO3
Molecular Weight119.12
InChIInChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
InChIKey MVGJRISPEUZYAQ-UHFFFAOYSA-N
SmilesC(O)C(C)([N+]([O-])=O)C
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MassMS-NW-4961 2-methyl-2-nitro-1-propanol C4H9NO3 (Mass of molecular ion: 119)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.2 13.0 1.5 14.0 4.5 15.0 25.6 16.0 1.0 17.0 4.8 18.0 21.5 19.0 4.6 25.0 1.2 26.0 6.5 27.0 35.8 28.0 18.1 29.0 60.3 30.0 66.5 31.0 70.5 37.0 3.3 38.0 6.2 39.0 49.9 40.0 13.3 41.0 73.9 42.0 51.7 43.0 50.3 44.0 4.7 45.0 38.6 46.0 2.0 51.0 1.4 52.0 1.6 53.0 5.4 54.0 4.8 55.0 93.5 56.0 7.0 57.0 26.7 58.0 17.5 59.0 19.8 71.0 4.7 72.0 12.5 73.0 100.0 74.0 4.8 89.0 19.9
parameter in CDCl3
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1H NMR 300 MHz C4 H9 N O3 0.040 g : 0.5 ml CDCl3 2-methyl-2-nitro-1-propanol 
Parameter ppm Hz
D(A) 3.856 D(B) 2.58 D(C) 1.586
Hz ppm Int.1156.80 3.856 333 772.81 2.576 167 475.80 1.586 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
