363-03-1

苯基-P-苯醌(363-03-1)质谱(MS)

产品名称:苯基-P-苯醌

CAS:363-03-1

分子式:C12H8O2

分子量: 184.19

InChI:InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H

InChIKey: RLQZIECDMISZHS-UHFFFAOYSA-N

Smiles:C1(=O)C=CC(=O)C=C1C1=CC=CC=C1

¹HNMR

IR1

IR2

Mass

MS-IW-1123          
phenyl-p-benzoquinone
C12H8O2             (Mass of molecular ion:    184)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      26.0       3.0
      28.0       1.2
      39.0       1.7
      50.0       4.6
      51.0      10.0
      52.0       2.9
      53.0       2.4
      54.0      28.2
      55.0       1.2
      62.0       1.5
      63.0       4.1
      64.0       5.4
      74.0       3.7
      75.0       4.2
      76.0       8.0
      77.0       3.1
      78.0       1.8
      82.0      65.2
      83.0       2.9
     101.0       1.7
     102.0      20.4
     103.0       2.1
     105.0       1.9
     126.0       1.4
     127.0       4.1
     128.0      26.8
     129.0       3.9
     130.0       1.0
     155.0       3.9
     156.0      45.1
     157.0       5.9
     183.0       1.3
     184.0     100.0
     185.0      15.0
     186.0       6.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₈ O₂	0.037 g : 0.5 ml CDCl₃
phenyl-p-benzoquinone

    Assign.     Shift(ppm)

      A             7.44
      B          6.84 to 6.81

     Hz     ppm     Int.

    677.63   7.567     30
    676.31   7.552     38
    675.19   7.539     47
    674.44   7.531     43
    674.31   7.530     43
    673.38   7.519     49
    671.88   7.503     69
    666.56   7.443   1000
    665.19   7.428    275
    663.00   7.403     56
    659.81   7.368     32
    614.38   6.860    113
    613.38   6.849    268
    612.06   6.835    388
    610.94   6.822    631
    610.00   6.812    263
    609.38   6.805    253

KBr disc