527-61-7

2,6-二甲基对苯醌(527-61-7)核磁图(¹HNMR)

产品名称:2,6-二甲基对苯醌

CAS:527-61-7

分子式:C8H8O2

分子量: 136.15

InChI:InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

InChIKey: SENUUPBBLQWHMF-UHFFFAOYSA-N

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

Mass

MS-NW-8937          
2,6-dimethyl-p-benzoquinone
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.9
      28.0       1.4
      37.0       2.4
      38.0      11.4
      39.0      57.0
      40.0      50.4
      41.0       4.8
      43.0       1.1
      50.0       3.1
      51.0       5.0
      52.0       3.5
      53.0       9.1
      54.0       1.3
      62.0       1.3
      63.0       2.5
      65.0       3.8
      66.0       3.5
      67.0       8.4
      68.0     100.0
      69.0       8.2
      77.0       7.5
      78.0       2.5
      79.0      44.5
      80.0      21.2
      81.0       1.8
      90.0       4.2
      91.0       2.2
      93.0       2.5
      96.0      26.8
      97.0       1.5
     107.0      18.4
     108.0      72.6
     109.0       5.9
     136.0      82.2
     137.0       8.8
     138.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O₂	0.041 g : 0.5 ml CDCl₃
2,6-dimethyl-p-benzoquinone

    Assign.     Shift(ppm)

      A             6.559
      B             2.064

     Hz     ppm     Int.

    588.19   6.568    225
    587.50   6.560    260
    583.63   6.517     24
    185.50   2.072   1000
    183.94   2.054    842

in CDCl3

KBr disc

nujol mull

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2,6-二甲基对苯醌(527-61-7)核磁图(1HNMR)

2,6-二甲基对苯醌(527-61-7)核磁图(¹HNMR)