50257-40-4

1-(2,4,6-三异丙基苯基磺酰)咪唑(50257-40-4)红外图谱(IR2)

产品名称:1-(2,4,6-三异丙基苯基磺酰)咪唑

CAS:50257-40-4

分子式:C18H26N2O2S

分子量: 334.48

InChI:InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3

InChIKey: AGGRGODMKWLSDE-UHFFFAOYSA-N

Smiles:C1N(S(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)(=O)=O)C=CN=1

Mass

MS-NW-7957          
1-(2,4,6-triisopropylphenylsulfonyl)imidazole
C18H26N2O2S         (Mass of molecular ion:    334)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.2
      27.0       7.4
      28.0       1.9
      29.0       3.4
      39.0       4.8
      40.0       5.4
      41.0      30.4
      42.0       1.8
      43.0      78.4
      44.0       2.7
      51.0       2.2
      53.0       3.9
      55.0       5.2
      57.0       3.3
      59.0       4.0
      63.0       1.3
      64.0       1.0
      65.0       3.2
      67.0       2.4
      68.0       3.0
      69.0       4.2
      77.0       5.8
      78.0       1.6
      79.0       3.8
      91.0      50.4
      92.0       4.5
      93.0       1.6
     103.0       2.5
     104.0       1.1
     105.0      23.3
     106.0       2.6
     107.0       1.6
     115.0       8.7
     116.0       3.8
     117.0      13.2
     118.0       2.2
     119.0      35.2
     120.0       4.0
     127.0       2.5
     128.0       8.6
     129.0       7.8
     130.0       3.9
     131.0       9.2
     132.0       1.5
     133.0      22.2
     134.0       2.8
     135.0       1.6
     137.0       1.6
     141.0       3.9
     142.0       3.1
     143.0       4.3
     144.0       1.8
     145.0       9.6
     146.0       1.8
     147.0       5.7
     148.0       1.1
     149.0       7.9
     150.0       1.3
     151.0       1.6
     152.0       1.0
     153.0       1.1
     155.0       1.1
     156.0       1.3
     157.0       1.9
     158.0       1.0
     159.0       6.4
     160.0       1.8
     161.0      10.1
     162.0       1.4
     165.0       1.7
     171.0       1.1
     173.0       6.6
     174.0       1.2
     175.0      42.9
     176.0       6.5
     179.0       1.0
     187.0       9.4
     188.0       2.5
     189.0       6.5
     190.0       1.1
     191.0       1.4
     202.0      10.6
     203.0      80.7
     204.0      13.9
     205.0       1.4
     217.0       2.0
     218.0      16.8
     219.0       3.4
     232.0       4.2
     233.0       1.6
     243.0      17.5
     244.0       3.6
     249.0       5.4
     250.0       1.2
     251.0      15.2
     252.0       2.8
     253.0       1.6
     255.0       2.0
     266.0      19.5
     267.0     100.0
     268.0      17.8
     269.0       7.5
     270.0       1.6
     335.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₂₆ N₂ O₂ S	0.041 g : 0.5 ml CDCl₃
1-(2,4,6-triisopropylphenylsulfonyl)imidazole

    Assign.     Shift(ppm)

      A             7.968
      B             7.227
      C             7.20
      D             7.075
      E             4.104
      F             2.922
      G             1.26
      J             1.19

     Hz     ppm     Int.

    714.75   7.981     58
    713.81   7.971     74
    713.44   7.967     72
    712.63   7.958     56
    647.31   7.228    264
    644.88   7.201    110
    643.38   7.184     73
    634.75   7.088     72
    633.94   7.079     74
    633.13   7.070     63
    632.31   7.061     51
    374.38   4.181     49
    367.69   4.106     68
    361.00   4.031     54
    121.81   1.361     36
    120.94   1.351     42
    116.25   1.299    512
    110.25   1.232   1000
    103.50   1.156    812

in CDCl3