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Back ChemicalBook Home>CAS DataBase List>117-80-6More Spectrum> 2,3-Dichloro-1,4-naphthoquinone(117-80-6) IR1

2,3-Dichloro-1,4-naphthoquinone(117-80-6) IR1

Molecular FormulaC10H4Cl2O2

Molecular Weight227.04

InChIInChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H

InChIKey SVPKNMBRVBMTLB-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C(=O)C(Cl)=C1Cl


  • Mass

    MS-NW-1997          
    2,3-dichloro-1,4-naphthoquinone
    C10H4Cl2O2          (Mass of molecular ion:    226)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       7.7
          28.0       8.7
          36.0       2.8
          37.0       2.2
          38.0       2.5
          39.0       1.2
          49.0       2.0
          50.0      16.5
          51.0       3.5
          52.0       4.7
          53.0       1.0
          61.0       2.2
          62.0       1.2
          66.0       7.6
          73.0       2.4
          74.0      12.1
          75.0       9.3
          76.0      17.4
          77.0       1.8
          84.0       1.3
          85.0       4.3
          86.0       1.6
          87.0      11.1
          89.0       3.3
          94.0       1.2
          96.0       1.2
          98.0       2.9
          99.0      19.5
         100.0       3.5
         104.0       5.7
         108.0       1.7
         109.0       3.9
         110.0       1.0
         111.0       1.6
         134.0       1.2
         135.0      29.2
         136.0       2.9
         137.0       9.3
         163.0      55.4
         164.0       5.8
         165.0      18.1
         166.0       1.8
         170.0       1.8
         172.0       1.1
         191.0     100.0
         192.0      11.1
         193.0      32.9
         194.0       3.6
         198.0      10.5
         199.0       1.2
         200.0       6.7
         202.0       1.2
         225.0       2.4
         226.0      77.8
         227.0      10.0
         228.0      51.1
         229.0       5.9
         230.0       8.9
    

parameter in THF


  • 1H NMR 300 MHz
    C10 H4 Cl2 O2 1.4 mol% in THF
    2,3-dichloro-1,4-naphthoquinone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.118 D(B) 7.799 J(A,A') 0.54 J(A,B) 7.78 J(A,B') 1.28 J(A',B) 1.28 J(A',B') 7.78 J(B,B') 7.47 CRECELY,R.W. ET AL. J.MOL.SPECTROSC. 32, 407 (1969)

         Hz     ppm     Int.
    

       2444.74   8.149     58
       2443.72   8.146     71
       2440.10   8.134    833
       2436.78   8.123    810
       2434.35   8.114    770
       2431.03   8.103   1000
       2427.29   8.091     99
       2426.51   8.088     86
       2348.59   7.829     86
       2347.81   7.826     99
       2344.07   7.814   1000
       2340.75   7.802    768
       2338.32   7.794    810
       2335.01   7.783    833
       2331.38   7.771     71
       2330.37   7.768     58
    

KBr disc



nujol mull





2,3-Dichloro-1,4-naphthoquinone(117-80-6) IR1 Atlas of Related Products

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