643-28-7

2-異丙基苯胺(643-28-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-異丙基苯胺

CAS:643-28-7

分子式:C9H13N

分子量: 135.21

InChI:InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3

InChIKey: YKOLZVXSPGIIBJ-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC=C1C(C)C

Mass

MS-NW-2220          
o-isopropylaniline
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       1.8
      28.0       1.3
      39.0       4.4
      41.0       2.4
      42.0       1.9
      50.0       1.0
      51.0       3.0
      52.0       1.7
      53.0       1.3
      54.0       1.0
      58.5       1.9
      60.0       1.9
      63.0       1.7
      65.0       4.7
      66.0       1.8
      77.0       8.9
      78.0       2.0
      79.0       1.3
      89.0       1.0
      91.0       5.9
      92.0       1.9
      93.0       6.3
      94.0       4.3
     102.0       1.1
     103.0       7.2
     104.0       1.3
     106.0       6.0
     115.0       1.4
     117.0       2.6
     118.0       4.8
     119.0       4.0
     120.0     100.0
     121.0       9.5
     134.0       1.7
     135.0      35.9
     136.0       3.6
     162.0       4.0
     177.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₃ N	0.04 ml : 0.5 ml CDCl₃
o-isopropylaniline

    Assign.     Shift(ppm)

      A             7.13
      B             7.02
      C             6.75
      D             6.66
      E             3.6
      F             2.87
      G             1.248

     Hz     ppm     Int.

    643.38   7.184     92
    642.13   7.170     38
    641.63   7.165     53
    636.19   7.104     79
    634.38   7.084    104
    628.94   7.023     89
    627.06   7.002     68
    621.56   6.941     91
    619.69   6.920     63
    613.63   6.852     54
    613.19   6.847     55
    611.94   6.833     74
    611.56   6.829     70
    606.25   6.770     50
    605.81   6.765     58
    604.63   6.752     69
    604.25   6.747     71
    599.44   6.694    100
    598.94   6.688    113
    597.81   6.675     80
    597.38   6.671     79
    591.94   6.610     52
    591.44   6.604     57
    590.38   6.593     48
    589.94   6.588     46
    317.19   3.542     53
    264.94   2.959     33
    258.13   2.883     45
    251.31   2.807     38
    114.94   1.284   1000
    112.88   1.261     73
    110.38   1.233     33
    109.50   1.223     64
    108.19   1.209    866

in CDCl3