Isoamyl nitrite(110-46-3) ¹H NMR

Product NameIsoamyl nitrite

CAS 110-46-3

Molecular FormulaC5H11NO2

Molecular Weight117.15

InChIInChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3

InChIKey OWFXIOWLTKNBAP-UHFFFAOYSA-N

SmilesN(=O)OCCC(C)C

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Mass

MS-IW-3461          
isopentyl nitrite
C5H11NO2            (Mass of molecular ion:    117)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.0
      26.0       2.2
      27.0      29.5
      28.0       9.0
      29.0      87.0
      30.0      52.4
      31.0       8.8
      37.0       1.0
      38.0       2.6
      39.0      30.3
      40.0       4.6
      41.0      99.8
      42.0      23.3
      43.0      70.3
      44.0       7.0
      45.0       8.2
      46.0       1.1
      50.0       1.1
      51.0       1.4
      53.0       3.1
      55.0      22.6
      56.0       7.0
      57.0     100.0
      58.0       6.6
      60.0      87.2
      61.0       1.5
      69.0       9.6
      70.0      13.8
      71.0      39.9
      72.0       3.5
      85.0       4.3
      86.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ N O₂	0.04 ml : 0.5 ml CDCl₃
isopentyl nitrite

    Assign.     Shift(ppm)

      A             4.719
      B          1.92 to 1.43
      C             0.95

     Hz     ppm     Int.

    429.31   4.794    154
    427.13   4.770     32
    426.63   4.764     32
    425.38   4.750     31
    422.63   4.719    255
    419.81   4.688     44
    416.00   4.645    144
    156.00   1.742     41
    154.88   1.730     74
    153.75   1.717     81
    152.63   1.705    117
    149.44   1.669    107
    147.56   1.648    193
    145.94   1.630    183
    144.69   1.616     83
    144.19   1.610     87
    143.13   1.599    100
    140.88   1.574    138
    139.31   1.556     77
    135.56   1.514     46
    133.75   1.494     34
     87.88   0.982   1000
     85.69   0.957    335
     83.88   0.937    212
     82.06   0.917    798

in CDCl3