13552-21-1

1-氨基-2-丁醇(13552-21-1)Raman光谱

产品名称:1-氨基-2-丁醇

CAS:13552-21-1

分子式:C4H11NO

分子量: 89.14

InChI:InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3

InChIKey: KODLUXHSIZOKTG-UHFFFAOYSA-N

Smiles:C(N)C(O)CC

Mass

MS-NW-4211          
1-amino-2-butanol
C4H11NO             (Mass of molecular ion:     89)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.1
      18.0       1.7
      27.0       3.2
      28.0       6.4
      29.0       2.5
      30.0     100.0
      31.0      20.0
      32.0      12.5
      39.0       1.3
      41.0       5.2
      42.0       6.5
      43.0       2.0
      56.0       1.0
      57.0       1.1
      58.0       1.6
      59.0       4.7
      60.0      11.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₁ N O	0.04 ml : 0.5 ml CDCl₃
1-amino-2-butanol

    Assign.     Shift(ppm)

      A             3.43
      B     *1      2.770
      C     *1      2.536
      D             2.38
      E             1.437
      F             0.96
     
     J(B,C)=-12.7HZ. J(A,B)=3.5HZ. J(A,C)=8.0HZ.

     Hz     ppm     Int.

    316.38   3.533     31
    313.81   3.504     58
    311.94   3.484     45
    310.38   3.466     62
    308.44   3.444     52
    305.88   3.416     73
    304.19   3.397     41
    302.31   3.376     75
    299.56   3.345     41
    296.06   3.306     41
    259.06   2.893     94
    255.56   2.854    104
    246.38   2.752    293
    242.88   2.712    247
    236.00   2.636    272
    228.00   2.546    220
    223.31   2.494    101
    215.25   2.404    173
    213.06   2.379   1000
    139.06   1.553     37
    137.00   1.530    123
    133.25   1.488     32
    131.00   1.463    138
    129.56   1.447    176
    125.81   1.405     41
    123.06   1.375    216
    121.94   1.362     79
    117.13   1.308     63
    115.88   1.294     63
     91.69   1.024    334
     85.00   0.950    584
     83.00   0.927    134
     77.13   0.862    152
     75.56   0.844     87

in CDCl3