2099-87-8

2,6-二氯-4-((4-羥苯基)氨基)苯酚(2099-87-8)質(zhì)譜(MS)

產(chǎn)品名稱:2,6-二氯-4-((4-羥苯基)氨基)苯酚

CAS:2099-87-8

分子式:C12H9Cl2NO2

分子量: 270.11

InChI:InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H

InChIKey: IFTGQCOAUCEONK-UHFFFAOYSA-N

Smiles:C1(O)=C(Cl)C=C(NC2=CC=C(O)C=C2)C=C1Cl

¹HNMR

IR1

IR2

Mass

MS-NW-2463          
2,6-dichloro-4-(4-hydroxyanilino)phenol
C12H9Cl2NO2         (Mass of molecular ion:    269)

   Source Temperature: 270 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       4.6
      26.0       1.7
      27.0       5.7
      28.0       2.7
      29.0       2.3
      31.0       1.1
      35.0       1.2
      36.0       8.8
      37.0       1.7
      38.0       4.3
      39.0      21.2
      40.0       1.8
      50.0       5.2
      51.0       7.7
      52.0      11.7
      53.0      11.9
      54.0       1.9
      55.0       4.0
      57.5       1.5
      61.0       3.5
      62.0       8.5
      63.0      13.7
      64.0       5.4
      65.0      17.8
      66.0       3.6
      70.5       6.8
      71.0       1.9
      72.0       1.6
      73.0       4.1
      74.0       2.0
      75.0       2.8
      76.0       6.5
      76.5       1.5
      77.0       2.6
      78.0       3.1
      79.0       2.8
      80.0       3.5
      81.0       8.8
      82.0       6.0
      84.5       2.3
      85.0      12.7
      85.5       2.9
      86.0       2.0
      87.0       2.5
      87.5       1.0
      88.0       4.2
      89.0       3.8
      90.0       2.8
      91.0       2.5
      93.0       5.8
      93.5       1.1
      94.0       5.8
      97.0       4.4
      98.0       1.4
      99.0       2.9
      99.5      13.7
     100.0       2.5
     102.0       2.2
     102.5       3.3
     103.0       1.1
     103.5       1.0
     107.0       1.8
     108.0       8.2
     109.0       1.4
     112.0       2.7
     113.0       2.4
     114.0       3.8
     115.0       7.6
     116.0       2.8
     116.5       4.8
     117.0       6.0
     117.5       2.1
     118.0       2.7
     119.0       2.9
     120.0       7.3
     123.0       1.7
     125.0       2.3
     126.0       1.3
     127.0       1.0
     133.0       1.7
     134.5       1.2
     135.0       1.2
     140.0       5.8
     141.0       4.6
     142.0       3.4
     143.0       2.2
     144.0       8.2
     145.0       1.7
     149.0       1.8
     150.0       1.6
     151.0       1.9
     152.0       3.0
     153.0       1.9
     154.0       1.9
     162.0       1.1
     168.0       2.0
     169.0       7.2
     170.0      31.8
     171.0       6.6
     175.0       1.4
     176.0       2.2
     177.0       1.8
     178.0       4.2
     179.0       2.2
     180.0       2.0
     182.0       1.0
     183.0       1.5
     187.0       3.5
     188.0       4.5
     189.0       2.7
     190.0       1.8
     198.0      10.6
     199.0      15.2
     200.0       2.2
     203.0       1.3
     204.0      34.7
     205.0       9.0
     206.0      13.2
     207.0       5.4
     208.0       1.1
     213.0       1.7
     214.0       2.0
     215.0       1.4
     216.0       2.5
     217.0       2.7
     218.0       1.0
     219.0       1.4
     232.0       5.0
     233.0      12.7
     234.0       6.8
     235.0       7.9
     236.0       2.1
     237.0       1.4
     238.0       1.1
     240.0       2.3
     242.0       1.3
     267.0       5.2
     268.0       7.2
     269.0     100.0
     270.0      17.2
     271.0      62.1
     272.0       9.1
     273.0      10.2
     274.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₉ Cl₂ N O₂	0.035 g : 0.5 ml DMSO-d₆
2,6-dichloro-4-(4-hydroxyanilino)phenol

    Assign.     Shift(ppm)

      A             9.
      B             6.912
      C             6.797
      D             6.743

     Hz     ppm     Int.

   2770.84   6.934     28
   2767.49   6.925    252
   2765.35   6.920     91
   2760.93   6.909     99
   2758.79   6.904    327
   2755.43   6.895     37
   2716.52   6.798   1000
   2702.03   6.761     40
   2698.82   6.753    329
   2696.53   6.748    104
   2692.11   6.737     91
   2689.97   6.731    261
   2686.61   6.723     28

KBr disc