2797-51-5

2-氨基-3-氯-1,4-萘醌(2797-51-5)红外图谱(IR2)

产品名称:2-氨基-3-氯-1,4-萘醌

CAS:2797-51-5

分子式:C10H6ClNO2

分子量: 207.61

InChI:InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2

InChIKey: OBLNWSCLAYSJJR-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(=O)C(Cl)=C1N

Mass

MS-IW-5658          
2-amino-3-chloro-1,4-naphthoquinone
C10H6ClNO2          (Mass of molecular ion:    207)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.1
      39.0       1.2
      40.0       1.0
      50.0       5.2
      51.0       2.1
      57.5       1.6
      62.0       1.5
      63.0       2.2
      68.0       3.7
      74.0       2.9
      75.0       3.6
      75.5       1.4
      76.0      10.7
      77.0       5.5
      87.0       1.1
      88.0       2.2
      89.0      11.7
      89.5       1.1
      90.0       1.5
     104.0       5.2
     105.0       7.6
     114.0       1.2
     115.0       1.9
     116.0       7.2
     117.0       1.1
     123.0       1.8
     126.0       2.5
     128.0       4.0
     144.0      12.7
     145.0       1.6
     151.0       1.2
     154.0       5.4
     163.0       1.0
     171.0       1.3
     172.0      84.1
     173.0       9.7
     179.0       4.2
     180.0       5.8
     181.0       1.9
     182.0       1.8
     206.0       1.1
     207.0     100.0
     208.0      11.9
     209.0      33.0
     210.0       3.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₆ Cl N O₂	saturated in DMSO-d₆
2-amino-3-chloro-1,4-naphthoquinone

    Assign.     Shift(ppm)

      A             7.99
      B     *1      7.835
      C     *1      7.752
      D             7.6

     Hz     ppm     Int.

   3197.02   8.000    646
   3195.56   7.996    786
   3195.07   7.995    761
   3193.73   7.992    690
   3189.70   7.982    817
   3187.99   7.977   1000
   3186.04   7.973    827
   3139.89   7.857    361
   3138.67   7.854    375
   3136.35   7.848     49
   3132.45   7.838    770
   3131.10   7.835    740
   3127.32   7.826     46
   3127.08   7.825     46
   3124.88   7.820    461
   3123.54   7.816    422
   3105.22   7.770    527
   3103.88   7.767    533
   3101.56   7.761     55
   3097.66   7.751    751
   3096.44   7.748    724
   3092.65   7.739     53
   3090.09   7.732    309
   3088.87   7.729    299
   3016.97   7.550    210

in DMSO-d6