2423-71-4

2,6-二甲基-4-硝基苯酚(2423-71-4)质谱(MS)

产品名称:2,6-二甲基-4-硝基苯酚

CAS:2423-71-4

分子式:C8H9NO3

分子量: 167.16

InChI:InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3

InChIKey: FNORUNUDZNWQFF-UHFFFAOYSA-N

Smiles:C1(O)=C(C)C=C([N+]([O-])=O)C=C1C

Mass

MS-IW-9534          
2,6-dimethyl-4-nitrophenol
C8H9NO3             (Mass of molecular ion:    167)

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

      17.0       1.1
      18.0       5.3
      27.0       7.7
      28.0       2.3
      29.0       2.2
      30.0       4.3
      31.0       2.1
      38.0       2.7
      39.0      17.6
      40.0       3.1
      41.0       9.3
      43.0       8.4
      50.0       4.0
      51.0      11.6
      52.0       5.1
      53.0      17.7
      54.0       1.2
      55.0       5.2
      62.0       3.0
      63.0       7.2
      64.0       2.4
      65.0      15.0
      66.0       3.1
      67.0       6.4
      68.0       1.0
      69.0       2.1
      74.0       1.3
      75.0       1.4
      76.0       1.0
      77.0      58.8
      78.0       8.9
      79.0       4.8
      81.0      10.1
      89.0       2.0
      90.0       1.1
      91.0      45.1
      92.0       5.1
      93.0      10.9
      94.0       2.9
     102.0       1.2
     103.0       6.2
     107.0       1.5
     108.0       1.3
     109.0       6.3
     119.0       2.6
     120.0       5.2
     121.0      16.9
     122.0       1.9
     123.0       1.0
     137.0      27.6
     138.0       2.8
     150.0       1.2
     151.0       3.0
     166.0       1.6
     167.0     100.0
     168.0       9.9
     169.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₉ N O₃	0.039 g : 0.5 ml DMSO-d₆
2,6-dimethyl-4-nitrophenol

    Assign.     Shift(ppm)

      A             7.880
      B             3.5
      C             2.256

     Hz     ppm     Int.

   3149.17   7.880    306
    901.86   2.257   1000

in DMSO-d6

KBr disc

nujol mull

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