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
Mass
MS-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
1H NMR | 300 MHz |
C4 H9 N O3 | 0.040 g : 0.5 ml CDCl3 |
2-methyl-2-nitro-1-propanol |
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Parameter ppm Hz |
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
2-Methyl-2-nitropropan-1-ol(76-39-1) IR1 Atlas of Related Products
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