3858-78-4

正丁胺鹽酸鹽(3858-78-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:正丁胺鹽酸鹽

CAS:3858-78-4

分子式:C4H12ClN

分子量: 109.6

InChI:InChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H

InChIKey: ICXXXLGATNSZAV-UHFFFAOYSA-N

Smiles:C(CN)CC.Cl

Mass

MS-NW-2306          
butylamine hydrochloride
C4H11N HCl          (Mass of molecular ion:     73)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.4
      27.0       3.2
      28.0       4.1
      29.0       1.9
      30.0     100.0
      31.0       1.9
      35.0       2.0
      36.0      16.9
      38.0       5.4
      39.0       1.8
      41.0       2.6
      42.0       1.5
      43.0       1.0
      44.0       1.6
      73.0       7.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₁ N	0.043 g : 0.5 ml CDCl₃
butylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.2
      B             3.0
      C             1.81
      D             1.45
      E             0.97

     Hz     ppm     Int.

    732.06   8.174    149
    270.38   3.019    166
    175.75   1.963     50
    175.44   1.959     53
    173.88   1.942     42
    173.19   1.934     38
    168.88   1.886    118
    168.50   1.882    119
    166.31   1.857    117
    165.88   1.853    118
    161.06   1.799    179
    160.38   1.791    176
    158.06   1.765    136
    157.63   1.761    136
    157.25   1.756    137
    156.06   1.743    132
    155.38   1.735    137
    152.44   1.703    153
    146.50   1.636    136
    144.31   1.612     66
    143.50   1.603     64
    139.56   1.559    145
    137.25   1.533     69
    132.69   1.482    177
    132.31   1.478    180
    127.94   1.429    127
    126.56   1.414    146
    126.38   1.412    146
    125.06   1.397    168
    118.44   1.323    129
    111.75   1.248     54
     92.50   1.033    577
     85.94   0.960   1000
     79.63   0.890    190
     78.56   0.878    241
     77.25   0.863    130
     76.94   0.860    134

in CDCl3