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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

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    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

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

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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