ISOAMYL NITRATE(543-87-3) ¹H NMR

Product NameISOAMYL NITRATE

CAS 543-87-3

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

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Mass

MS-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