463-04-7

亚硝酸正戊酯(463-04-7)质谱(MS)

产品名称:亚硝酸正戊酯

CAS:463-04-7

分子式:C5H11NO2

分子量: 117.15

InChI:InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3

InChIKey: CSDTZUBPSYWZDX-UHFFFAOYSA-N

Smiles:N(=O)OCCCCC

Mass

MS-NW-1057          
pentyl nitrite
C5H11NO2            (Mass of molecular ion:    117)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       2.8
      17.0       2.0
      18.0       9.0
      26.0       4.0
      27.0      33.1
      28.0      11.8
      29.0      96.0
      30.0      54.0
      31.0      26.7
      32.0       1.2
      38.0       1.7
      39.0      19.3
      40.0       3.3
      41.0     100.0
      42.0      57.6
      43.0      41.6
      44.0      11.0
      45.0       4.6
      50.0       1.0
      51.0       1.3
      53.0       3.2
      54.0       2.1
      55.0      43.0
      56.0      10.0
      57.0      51.1
      58.0       4.1
      59.0       2.5
      60.0      35.3
      61.0       1.6
      67.0       1.0
      68.0       1.1
      69.0       6.5
      70.0      34.9
      71.0      16.6
      72.0       1.3
      73.0       1.7
      80.0       1.3
      83.0       1.0
      84.0       1.7
      85.0      10.1
      86.0       1.2
      89.0       2.7
      99.0       1.7
     103.0       6.9

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             4.70
      B             1.74
      C          1.54 to 1.15
      D             0.92

     Hz     ppm     Int.

    427.25   4.771    330
    420.81   4.699    736
    414.25   4.626    417
    156.25   1.745    267
    149.63   1.671    238
    127.06   1.419    516
    125.13   1.398    426
    124.06   1.386    571
    123.19   1.376    478
    121.50   1.357    497
    120.06   1.341    602
    117.19   1.309    335
    116.50   1.301    338
    116.13   1.297    356
    113.94   1.273    215
    113.00   1.262    274
     89.31   0.998    277
     88.31   0.987    426
     87.75   0.980    381
     86.00   0.961    291
     85.06   0.950    335
     82.00   0.916   1000
     79.19   0.885    237
     76.50   0.855    254
     76.00   0.849    264

in CDCl3