2,6-二氯苯硫酚(24966-39-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,6-二氯苯硫酚

CAS:24966-39-0

分子式:C6H4Cl2S

分子量: 179.07

InChI:InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

InChIKey: JBISHCXLCGVPGW-UHFFFAOYSA-N

Smiles:C1(S)=C(Cl)C=CC=C1Cl

Mass

MS-NW-9420          
2,6-dichlorobenzenethiol
C6H4Cl2S            (Mass of molecular ion:    178)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      36.0       2.7
      37.0       3.5
      38.0       2.9
      39.0       2.7
      44.0       1.7
      45.0       5.8
      49.0       2.0
      50.0       2.6
      51.0       1.2
      52.5       1.6
      53.0       7.6
      53.5       1.8
      54.0       1.0
      57.0       1.1
      58.0       2.8
      60.0       1.1
      61.0       4.0
      62.0       5.8
      63.0      13.8
      64.0       1.1
      68.0       1.1
      69.0      17.8
      70.0       1.3
      71.0      10.6
      71.5       1.0
      72.0       4.7
      73.0       7.3
      74.0       6.1
      75.0       5.5
      79.0       3.8
      81.0       6.5
      82.0       6.3
      83.0       1.2
      84.0       2.5
      85.0       1.2
      89.0       5.2
      90.0       4.3
      91.0       1.5
      92.0       1.3
      93.0       1.8
      97.0       2.5
      98.0       1.4
      99.0       4.9
     101.0       1.4
     103.0       2.0
     105.0       2.4
     106.0       3.3
     107.0      34.2
     108.0      19.0
     109.0       5.8
     110.0       1.6
     111.0       1.5
     116.0       1.1
     118.0       2.2
     126.0       1.4
     133.0       2.2
     134.0       5.0
     135.0       1.6
     136.0       3.2
     142.0      40.8
     143.0      73.5
     144.0      20.3
     145.0      28.0
     146.0       4.7
     147.0       1.9
     148.0       1.5
     161.0       5.3
     162.0       3.1
     163.0       3.6
     164.0       1.9
     177.0       4.7
     178.0     100.0
     179.0      10.5
     180.0      68.2
     181.0       5.6
     182.0      13.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Cl₂ S	0.042 g : 0.5 ml CDCl₃
2,6-dichlorobenzenethiol

    Assign.     Shift(ppm)

      A             7.272
      B             6.994
      C             4.613

     Hz     ppm     Int.

    659.69   7.366     68
    657.56   7.343    387
    657.25   7.339    392
    655.88   7.324    434
    655.50   7.320    415
    654.13   7.304     82
    652.38   7.285    106
    649.13   7.248    882
    648.81   7.245    922
    645.38   7.207     79
    635.25   7.094     30
    632.06   7.058    611
    628.94   7.023     31
    628.13   7.014     30
    627.75   7.010     34
    625.31   6.983    378
    624.13   6.969     67
    622.94   6.956    284
    616.25   6.881    201
    413.19   4.614   1000
    410.25   4.581     45

in CDCl3