4430-20-0

氯酚紅(4430-20-0)紅外圖譜(IR2)

產(chǎn)品名稱:氯酚紅

分子式:C19H12Cl2O5S

分子量: 423.27

InChI:InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H

InChIKey: WWAABJGNHFGXSJ-UHFFFAOYSA-N

Smiles:S1(=O)(=O)C2=CC=CC=C2C(C2=CC=C(O)C(Cl)=C2)(C2=CC=C(O)C(Cl)=C2)O1

¹HNMR

IR1

IR2

Mass

MS-NW-0394          
Chlorophenol Red
C19H12Cl2O5S        (Mass of molecular ion:    422)

   Source Temperature: 210 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      18.0       1.7
      27.0       1.9
      28.0       1.8
      29.0       2.3
      36.0       2.4
      39.0       3.7
      41.0       6.8
      42.0       1.3
      43.0       6.0
      44.0       1.2
      45.0       1.3
      50.0       1.8
      51.0       2.5
      53.0       2.0
      54.0       1.6
      55.0       7.8
      56.0       2.5
      57.0       6.0
      60.0       2.4
      62.0       1.9
      63.0       6.7
      64.0       1.8
      65.0       1.2
      67.0       3.5
      68.0       2.2
      69.0       7.6
      70.0       2.4
      71.0       2.8
      73.0       2.9
      74.0       2.0
      75.0       3.3
      76.0       3.8
      77.0       2.5
      79.0       1.3
      81.0       4.1
      82.0       2.4
      83.0       4.5
      84.0       2.2
      85.0       1.9
      86.0       1.5
      87.0       2.3
      88.0       2.0
      89.0       1.1
      91.0       2.9
      92.0       1.3
      93.0       1.5
      93.5       3.0
      94.0       2.3
      94.5       2.3
      95.0       2.4
      96.0       1.9
      97.0       3.4
      98.0       3.1
      99.0       5.9
     100.0       2.3
     101.0       3.2
     104.0       2.7
     105.0       1.1
     105.5       2.0
     106.0       2.8
     106.5       8.2
     107.0       3.6
     107.5       1.3
     108.0       1.0
     109.0       1.5
     110.0       1.1
     111.0       1.5
     112.0       2.9
     112.5       1.7
     113.0       3.8
     114.0       1.0
     115.0       1.4
     121.0       6.5
     121.5       1.7
     122.0       1.2
     123.0       1.0
     125.0       1.4
     126.0       1.7
     127.0       4.1
     128.0       1.8
     129.0       1.8
     130.0       1.8
     135.5       3.0
     136.0       2.5
     137.0       1.4
     138.0       2.3
     139.0       8.7
     140.0       2.1
     143.5       1.0
     144.0       1.1
     149.0       1.3
     150.0       3.4
     151.0       5.7
     152.0       2.9
     153.0       2.0
     153.5       3.2
     154.0       1.2
     154.5       1.2
     155.0      10.7
     156.0       1.0
     157.0       3.6
     162.0       1.0
     163.0       1.7
     167.0       2.3
     168.0       7.5
     169.0       1.7
     175.0       1.4
     176.0       1.4
     181.0       1.2
     186.0       1.2
     187.0       3.6
     188.0       1.8
     189.0       3.0
     193.5       2.8
     194.5       1.4
     196.0       3.3
     197.0       1.0
     200.0       2.2
     201.0       1.4
     202.0       2.6
     203.0       1.0
     211.0       2.8
     212.0       2.4
     213.0      13.5
     214.0       4.4
     215.0       7.7
     216.0       1.8
     217.0       1.8
     224.0       1.8
     225.0       2.1
     226.0       3.6
     227.0       1.0
     230.0       1.9
     231.0       5.2
     232.0       1.4
     233.0       1.5
     242.0       8.1
     243.0       3.4
     244.0       3.5
     253.0       1.6
     254.0       1.2
     255.0       1.7
     271.0       3.6
     272.0       1.6
     273.0       6.2
     274.0       1.6
     278.0       2.8
     279.0       1.1
     280.0       1.1
     295.0       9.3
     296.0       1.7
     297.0       3.7
     305.0       1.1
     306.0       1.5
     307.0     100.0
     308.0      22.9
     309.0      33.6
     310.0       7.5
     311.0       1.0
     323.0       6.3
     324.0       1.6
     325.0       3.4
     341.0       5.5
     342.0       7.2
     343.0       4.8
     344.0       4.7
     345.0       1.5
     357.0       2.9
     358.0       1.3
     359.0       2.2
     388.0       1.3
     422.0      12.3
     423.0       2.7
     424.0       9.2
     425.0       2.3
     426.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₂ Cl₂ O₅ S	0.033 g : 0.5 ml DMSO-d₆
Chlorophenol Red

    Assign.     Shift(ppm)

      A             8.101
      B             7.791
      C             7.738
      D             7.592
      E             7.210
      F             7.121
      G             6.987

     Hz     ppm     Int.

   3241.73   8.112    219
   3234.71   8.094    246
   3233.95   8.092    249
   3123.32   7.816     87
   3122.10   7.813     85
   3119.66   7.806     30
   3115.69   7.797    205
   3114.62   7.794    202
   3111.11   7.785     40
   3108.22   7.778    166
   3106.99   7.775    164
   3099.67   7.756    161
   3098.60   7.754    188
   3092.04   7.737    213
   3090.97   7.735    236
   3084.56   7.719    105
   3083.65   7.716    102
   3037.87   7.602    222
   3030.24   7.583    195
   2882.84   7.214    871
   2880.55   7.208   1000
   2852.33   7.138    384
   2849.88   7.131    333
   2843.63   7.116    533
   2841.19   7.110    502
   2796.33   6.997    779
   2787.63   6.976    623

KBr disc