2,3-Dichlorophenol(576-24-9) IR1

Product Name2,3-Dichlorophenol

CAS 576-24-9

Molecular FormulaC6H4Cl2O

Molecular Weight163

InChIInChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

InChIKey UMPSXRYVXUPCOS-UHFFFAOYSA-N

SmilesC1(O)=CC=CC(Cl)=C1Cl

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Mass

MS-NW-1366          
2,3-dichlorophenol
C6H4Cl2O            (Mass of molecular ion:    162)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       1.3
      29.0       1.1
      31.0       1.8
      36.0       1.5
      37.0       5.7
      38.0       4.3
      39.0       3.7
      48.0       2.4
      49.0       6.9
      50.0       3.0
      53.0       2.8
      60.0       1.1
      61.0       4.9
      62.0       8.2
      63.0      43.6
      64.0       4.2
      65.0       1.1
      66.0       1.1
      72.0       4.5
      73.0       8.9
      74.0       2.6
      75.0       2.9
      81.0       3.4
      82.0       2.1
      83.0       1.0
      84.0       1.2
      87.0       2.1
      91.0       2.9
      97.0       2.7
      98.0      20.9
      99.0      11.7
     100.0       7.1
     101.0       3.7
     107.0       1.6
     109.0       1.2
     126.0      48.4
     127.0       3.6
     128.0      15.8
     129.0       1.1
     133.0       3.2
     135.0       2.0
     162.0     100.0
     163.0       6.8
     164.0      62.4
     165.0       4.2
     166.0      10.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Cl₂ O	0.047 g : 0.5 ml CDCl₃
2,3-dichlorophenol

    Assign.     Shift(ppm)

      A          7.25 to 6.85
      B             5.69

     Hz     ppm     Int.

    645.81   7.211     79
    639.00   7.135     81
    638.00   7.124    302
    636.38   7.106     32
    634.06   7.080     37
    632.88   7.067    404
    631.13   7.048    920
    629.81   7.033   1000
    627.38   7.006     42
    626.56   6.996     46
    625.00   6.979    403
    624.38   6.972    763
    621.31   6.938    291
    617.56   6.896    249
    614.50   6.862    199
    509.88   5.694    340

in CDCl3