2-氨基苯并噻唑(136-95-8)核磁圖(¹HNMR)

產(chǎn)品名稱:2-氨基苯并噻唑

CAS:136-95-8

分子式:C7H6N2S

分子量: 150.2

InChI:InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

InChIKey: UHGULLIUJBCTEF-UHFFFAOYSA-N

Smiles:S1C2=CC=CC=C2N=C1N

Mass

MS-NW-0239          
2-benzothiazolamine
C7H6N2S             (Mass of molecular ion:    150)

   Source Temperature: 170 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      28.0       1.6
      37.0       1.4
      38.0       1.6
      39.0       2.2
      45.0       3.7
      50.0       1.6
      51.0       1.6
      52.0       1.2
      58.0       1.6
      60.0       1.3
      61.0       1.0
      62.0       1.6
      63.0       3.8
      64.0       2.0
      65.0       1.1
      69.0       9.9
      70.0       2.0
      71.0       1.0
      75.0       5.3
      78.0       1.6
      79.0       1.1
      81.0       1.6
      82.0       4.3
      91.0       2.5
      95.0       1.9
      96.0      21.7
      97.0       1.8
      98.0       1.0
     105.0       2.2
     106.0       2.7
     108.0       4.0
     118.0       3.3
     122.0       5.2
     123.0      21.9
     124.0       2.7
     125.0       1.0
     149.0       3.1
     150.0     100.0
     151.0      10.3
     152.0       5.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ N₂ S	0.040 g : 0.5 ml CDCl₃
2-benzothiazolamine

    Assign.     Shift(ppm)

      A             7.566
      B             7.516
      C             7.287
      D             7.122
      E             5.85

     Hz     ppm     Int.

    683.19   7.629    481
    682.56   7.622    522
    681.63   7.611    511
    680.81   7.602    490
    679.38   7.586    418
    678.75   7.579    340
    677.63   7.567    468
    677.25   7.562    464
    675.56   7.544    803
    675.19   7.539    616
    674.06   7.527    738
    673.44   7.520    789
    671.69   7.500    771
    670.81   7.491    796
    669.88   7.480   1000
    669.25   7.473    589
    661.31   7.384    425
    659.75   7.367    531
    654.19   7.305    972
    652.69   7.288    731
    651.88   7.279    227
    646.44   7.218    606
    644.69   7.199    588
    643.88   7.190    869
    642.13   7.170    826
    636.69   7.110    565
    636.25   7.105    586
    634.75   7.088    687
    629.13   7.025    287
    627.56   7.008    252
    523.38   5.844    162

in CDCl3