3602-55-9

叔丁基对苯醌(3602-55-9)红外图谱(IR2)

产品名称:叔丁基对苯醌

CAS:3602-55-9

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3

InChIKey: NCCTVAJNFXYWTM-UHFFFAOYSA-N

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

Mass

MS-KW-0282          
tert-butyl-p-benzoquinone
C10H12O2            (Mass of molecular ion:    164)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.2
      26.0      12.3
      27.0      15.2
      28.0       4.0
      29.0      12.6
      37.0       1.2
      38.0       4.0
      39.0      35.4
      40.0       7.0
      41.0      42.9
      42.0       2.6
      43.0      26.3
      44.0       1.1
      45.0       1.2
      50.0       7.2
      51.0      19.4
      52.0      11.9
      53.0      24.7
      54.0      31.1
      55.0      19.8
      56.0       6.0
      57.0      14.6
      58.0       1.1
      60.0       1.0
      61.0       1.1
      62.0       3.0
      63.0       6.5
      64.0       2.1
      65.0      15.5
      66.0       9.4
      67.0      21.8
      68.0       3.0
      69.0       3.0
      71.0       1.0
      74.0       2.0
      75.0       1.2
      77.0      44.8
      78.0       9.9
      79.0      17.1
      80.0       5.5
      81.0      10.9
      82.0      20.7
      83.0       1.8
      89.0       1.5
      91.0      30.9
      92.0       5.2
      93.0      43.5
      94.0      30.3
      95.0      12.5
      96.0       2.5
     103.0       8.6
     104.0       1.2
     105.0       5.3
     106.0       6.0
     107.0      15.8
     108.0      16.3
     109.0       8.0
     110.0       5.4
     115.0       2.9
     117.0       4.3
     118.0       2.5
     119.0       5.1
     120.0       3.2
     121.0      80.2
     122.0      24.4
     123.0      14.3
     124.0       3.2
     131.0       5.2
     132.0       1.2
     133.0       1.6
     134.0       1.2
     135.0      19.9
     136.0      31.1
     137.0       3.6
     145.0       3.5
     146.0       5.2
     147.0      15.0
     148.0       3.0
     149.0     100.0
     150.0      10.3
     151.0       7.0
     161.0       2.8
     162.0       3.8
     163.0       3.7
     164.0      74.1
     165.0       8.9
     166.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₂O₂	0.040 g : 0.5 ml CDCl₃
tert-butyl-p-benzoquinone

    Assign.     Shift(ppm)

     A           6.686
     B           6.603
     C           1.290

     Hz     ppm     Int.

   2673.71   6.688    236
   2672.49   6.685    264
   2640.87   6.606     72
   2639.65   6.603    107
   2638.43   6.600     60
    515.63   1.290   1000
    508.31   1.272     12

in CDCl3