ISOAMYL NITRATE(543-87-3) 1H NMR
Product NameISOAMYL NITRATE
CAS543-87-3
Molecular FormulaC5H11NO3
Molecular Weight133.15
InChIInChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3
InChIKey NTHGIYFSMNNHSC-UHFFFAOYSA-N
SmilesC(O[N+]([O-])=O)CC(C)C
-
MassMS-NW-1309 isopentyl nitrate C5H11NO3 (Mass of molecular ion: 133)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.3 15.0 5.4 17.0 2.4 18.0 11.2 26.0 2.8 27.0 29.5 28.0 14.3 29.0 59.4 30.0 43.1 31.0 10.5 37.0 1.2 38.0 2.7 39.0 23.9 40.0 4.4 41.0 100.0 42.0 22.0 43.0 49.6 44.0 10.3 45.0 6.0 46.0 33.2 51.0 1.2 53.0 3.1 54.0 2.7 55.0 17.1 56.0 10.1 57.0 65.1 58.0 4.3 59.0 1.4 60.0 1.2 67.0 1.1 68.0 2.2 69.0 10.7 70.0 9.6 71.0 6.6 72.0 3.0 73.0 1.6 76.0 32.7 85.0 1.4 86.0 1.7 99.0 2.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H11 N O3 0.04 ml : 0.5 ml CDCl3 isopentyl nitrate 
Assign. Shift(ppm)
A 4.482 B 2.01 to 1.45 C 0.96
Hz ppm Int.408.00 4.556 147 401.31 4.481 250 394.69 4.407 138 157.56 1.760 42 156.75 1.751 31 153.13 1.710 98 150.63 1.682 100 149.69 1.672 73 146.88 1.641 225 144.00 1.608 87 142.75 1.594 43 141.31 1.578 73 140.25 1.566 143 134.38 1.501 48 132.94 1.485 31 88.31 0.987 1000 85.50 0.955 149 82.50 0.922 834
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
