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136-95-8

2-氨基苯并噻唑(136-95-8)Raman光谱

产品名称: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

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    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

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

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KBr disc

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nujol mull

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