117-80-6

2,3-二氯-1,4-萘醌(117-80-6)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):2,3-二氯-1,4-萘醌

CAS:117-80-6

分子式:C10H4Cl2O2

分子量: 227.04

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

InChIKey: SVPKNMBRVBMTLB-UHFFFAOYSA-N

Smiles:C1(=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

    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