3383-21-9

3,5-二叔丁基邻苯醌(3383-21-9)红外图谱(IR1)

产品名称:3,5-二叔丁基邻苯醌

CAS:3383-21-9

分子式:C14H20O2

分子量: 220.31

InChI:InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3

InChIKey: NOUZOVBGCDDMSX-UHFFFAOYSA-N

Smiles:C1(=O)C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O

Mass

MS-NW-6545          
3,5-di-tert-butyl-o-benzoquinone
C14H20O2            (Mass of molecular ion:    220)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       2.1
      27.0       8.1
      28.0       1.7
      29.0      22.1
      38.0       1.2
      39.0      15.4
      40.0       2.6
      41.0      41.2
      42.0       1.9
      43.0       4.8
      50.0       2.8
      51.0       8.4
      52.0       3.0
      53.0       6.9
      55.0       7.5
      56.0       2.4
      57.0      75.3
      58.0       3.6
      63.0       3.3
      64.0       1.6
      65.0       8.3
      66.0       2.2
      67.0       6.6
      69.0       2.8
      75.0       1.0
      77.0      11.2
      78.0       2.9
      79.0       7.3
      80.0       1.4
      81.0       2.2
      83.0       1.3
      89.0       1.1
      91.0      22.7
      92.0       4.1
      93.0      21.6
      94.0       2.4
      95.0       2.1
     103.0       2.5
     104.0       1.1
     105.0       7.1
     106.0       2.0
     107.0       9.3
     108.0      59.5
     109.0       6.3
     115.0       2.3
     117.0       2.6
     119.0      10.5
     120.0       2.3
     121.0      10.3
     122.0       3.4
     123.0       2.3
     131.0       1.1
     133.0       8.9
     134.0       9.9
     135.0       9.2
     136.0      14.1
     137.0       6.3
     147.0       2.0
     148.0       1.3
     149.0     100.0
     150.0      12.6
     151.0       1.7
     159.0       1.3
     161.0       1.2
     162.0       1.8
     163.0       1.3
     164.0      45.3
     165.0       5.6
     177.0      20.9
     178.0       2.9
     191.0       1.3
     192.0      39.9
     193.0       6.1
     205.0       1.1
     207.0       9.1
     208.0       1.5
     222.0       2.3

parameter in CDCl3

¹H NMR	300 MHz
C₁₄ H₂₀ O₂	0.043 g : 0.5 ml CDCl₃
3,5-di-tert-butyl-o-benzoquinone

    Parameter     ppm  Hz

      D(A)         6.946
      D(B)         6.211
       J(A,B)          2.3
     
      D(C) *1      1.274
      D(D) *1      1.235

     Hz     ppm     Int.

   2084.97   6.950     43
   2082.70   6.942     44
   1864.46   6.215     40
   1862.18   6.207     40
    382.20   1.274   1000
    370.58   1.235   1000

in CDCl3