56-37-1

芐基三乙基氯化銨(56-37-1)核磁圖(¹HNMR)

產(chǎn)品名稱:芐基三乙基氯化銨

CAS:56-37-1

分子式:C13H22ClN

分子量: 227.77

InChI:InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1

InChIKey: HTZCNXWZYVXIMZ-UHFFFAOYSA-M

Smiles:[N+](CC)(CC)(CC)CC1=CC=CC=C1.[Cl-]

Mass

MS-NW-4868          
benzyltriethylammonium chloride
C13H22ClN           (Mass of molecular ion:    227)

   Source Temperature: 210 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       2.6
      18.0       2.7
      26.0       3.0
      27.0      13.3
      28.0      10.1
      29.0      12.9
      30.0      17.4
      37.0       1.7
      38.0       3.5
      39.0      11.3
      40.0       1.4
      41.0       4.0
      42.0      10.9
      43.0       1.9
      44.0       9.0
      45.0       2.0
      49.0       1.1
      50.0       4.6
      51.0       6.2
      52.0       1.8
      54.0       1.3
      56.0       6.1
      57.0       1.3
      58.0      19.4
      61.0       2.0
      62.0       4.7
      63.0       9.5
      64.0       3.0
      65.0      13.9
      70.0       2.7
      71.0       1.1
      72.0       2.9
      86.0      53.3
      87.0       4.1
      89.0       6.7
      90.0       3.1
      91.0     100.0
      92.0       7.4
     100.0       3.7
     101.0       8.0
     125.0       2.1
     126.0      13.3
     127.0       1.9
     128.0       4.6
     148.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₂₂ Cl N	0.046 g : 0.5 ml CDCl₃
benzyltriethylammonium chloride

    Assign.     Shift(ppm)

      A          7.72 to 7.25
      B             4.739
      C             3.414
      D             1.454

     Hz     ppm     Int.

    682.81   7.625     61
    680.44   7.598     98
    676.75   7.557    144
    676.38   7.553    146
    676.06   7.549    145
    672.75   7.512    301
    670.69   7.489    262
    668.31   7.463    554
    665.75   7.434    310
    662.75   7.401    118
    661.19   7.383     98
    657.75   7.345     30
    424.44   4.740    633
    317.13   3.541    178
    314.13   3.508     56
    313.75   3.504     54
    309.75   3.459    628
    302.56   3.379    683
    298.50   3.333     66
    298.19   3.330     67
    295.44   3.299    233
    292.38   3.265     43
    291.25   3.253     40
    137.06   1.531    515
    130.00   1.452   1000
    122.88   1.373    445
    116.63   1.303     34

in CDCl3