54897-62-0

N-乙基-N-(4-羟丁基)亚硝胺(54897-62-0)核磁图(¹HNMR)

产品名称:N-乙基-N-(4-羟丁基)亚硝胺

CAS:54897-62-0

分子式:C6H14N2O2

分子量: 146.19

InChI:InChI=1S/C6H14N2O2/c1-2-8(7-10)5-3-4-6-9/h9H,2-6H2,1H3

InChIKey: SAWPRHGGVOPPSR-UHFFFAOYSA-N

Smiles:C(O)CCCN(CC)N=O

¹HNMR

IR1

Mass

MS-NW-1415          
4-(N-ethyl-N-nitrosoamino)-1-butanol
C6H14N2O2           (Mass of molecular ion:    146)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       9.5
      17.0       3.5
      18.0      15.3
      19.0       3.2
      26.0       4.6
      27.0      39.6
      28.0      62.2
      29.0      92.4
      30.0      46.0
      31.0      76.7
      32.0       1.4
      38.0       1.2
      39.0      13.2
      40.0       3.4
      41.0      43.2
      42.0      99.4
      43.0      63.7
      44.0      57.2
      45.0       6.4
      46.0       8.6
      47.0       1.5
      52.0       1.0
      53.0       4.2
      54.0       6.4
      55.0      67.2
      56.0     100.0
      57.0      91.1
      58.0      75.9
      59.0       6.8
      67.0       1.0
      68.0       6.6
      69.0       4.0
      70.0      16.1
      71.0      31.6
      72.0      15.7
      73.0       9.1
      74.0       5.4
      75.0       8.1
      80.0       1.0
      82.0       3.3
      84.0       4.9
      85.0       1.7
      86.0       1.2
      87.0      49.7
      88.0      12.1
      96.0       1.3
      97.0       2.1
      98.0      24.3
      99.0       3.4
     100.0      12.8
     101.0       3.5
     102.0       1.0
     114.0       1.9
     115.0       8.5
     116.0       3.5
     128.0       1.4
     129.0      63.8
     130.0       4.8
     146.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ N₂ O₂	0.04 ml : 0.5 ml CDCl₃
4-(N-ethyl-N-nitrosoamino)-1-butanol

    Assign.     Shift(ppm)

      A             4.15
      B             4.12
      C             3.69
      D             3.64
      E             3.61
      F             3.60
      G             2.56
      J          2.26 to 1.31
      K             1.413
      L             1.107

     Hz     ppm     Int.

    376.56   4.205    151
    375.25   4.190    326
    369.63   4.128    277
    368.00   4.109    338
    362.56   4.049    175
    337.00   3.763    189
    330.75   3.694    402
    327.06   3.652    386
    325.88   3.639    348
    324.81   3.627    278
    322.50   3.601    177
    319.88   3.572    455
    229.38   2.562   1000
    145.13   1.621    161
    142.81   1.595    238
    141.69   1.583    147
    141.25   1.578    161
    139.75   1.561    185
    136.06   1.520    238
    133.31   1.489    358
    126.06   1.408    673
    118.81   1.327    267
    106.06   1.185    343
     98.88   1.105    746
     91.75   1.025    295

liquid film