95-24-9

2-氨基-6-氯苯并噻唑(95-24-9)核磁图(¹³CNMR)

产品名称:2-氨基-6-氯苯并噻唑

CAS:95-24-9

分子式:C7H5ClN2S

分子量: 184.65

InChI:InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)

InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N

Smiles:S1C2=CC(Cl)=CC=C2N=C1N

Mass

MS-IW-3632          
6-chloro-2-benzothiazolamine
C7H5ClN2S           (Mass of molecular ion:    184)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      45.0       2.1
      50.0       1.3
      60.0       1.3
      61.0       1.7
      62.0       2.9
      63.0       7.7
      69.0       6.6
      70.0       1.2
      73.0       1.4
      74.0       1.4
      75.0       1.2
      76.0       1.4
      78.5       2.1
      79.0       1.6
      81.0       2.1
      82.0       1.9
      92.0       7.4
      93.0       3.9
      94.0       1.3
      95.0       4.1
      97.0       1.1
     105.0       1.7
     106.0       1.5
     107.0       4.5
     108.0       1.0
     120.0       1.3
     121.0       1.9
     122.0      16.1
     123.0       1.4
     124.0       1.6
     130.0      15.1
     131.0       1.3
     132.0       5.5
     139.0       1.4
     142.0       2.1
     148.0       1.2
     149.0      10.4
     150.0       1.1
     152.0       1.1
     156.0       1.5
     157.0      21.4
     158.0       2.3
     159.0       7.9
     183.0       1.2
     184.0     100.0
     185.0       9.7
     186.0      36.5
     187.0       3.3
     188.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ Cl N₂ S	0.035 g : 0.5 ml DMSO-d₆
6-chloro-2-benzothiazolamine

    Assign.     Shift(ppm)

      A             7.779
      B             7.64
      C             7.323
      D             7.233

     Hz     ppm     Int.

   3110.11   7.783    681
   3108.03   7.777    674
   3098.51   7.754     22
   3098.14   7.753     22
   3097.78   7.752     22
   3069.46   7.681     22
   3067.38   7.676     26
   3053.10   7.640   1000
   2931.76   7.336    440
   2923.22   7.315    675
   2895.39   7.245    434
   2893.31   7.240    421
   2886.84   7.224    285
   2884.77   7.219    276

in DMSO-d6