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返回ChemicalBook首页>CAS数据库列表>29927-08-0更多图谱> 2-氨基-5,6-二甲基苯并噻唑(29927-08-0)核磁图(13CNMR)

29927-08-0

2-氨基-5,6-二甲基苯并噻唑(29927-08-0)核磁图(13CNMR)

分子式:C9H10N2S

分子量: 178.25

InChI:InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)

InChIKey: IODWHFFPQHUDAG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6251          
    2-amino-5,6-dimethylbenzothiazole
    C9H10N2S            (Mass of molecular ion:    178)
    

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

          18.0       1.0
          27.0       1.7
          28.0       1.6
          38.0       1.1
          39.0       5.2
          41.0       1.2
          45.0       3.5
          50.0       1.4
          51.0       3.5
          52.0       1.3
          53.0       1.1
          60.0       1.4
          63.0       2.3
          65.0       3.8
          66.0       1.1
          69.0       3.7
          70.0       1.0
          75.0       1.3
          77.0       3.4
          78.0       1.1
          79.0       1.4
          82.0       1.0
          83.0       1.0
          88.0       1.2
          89.0       4.1
          90.0       1.5
          91.0       7.6
          92.0       3.1
         104.0       1.2
         106.0       1.2
         109.0       1.7
         116.0       1.5
         117.0       1.9
         118.0       3.7
         119.0       4.5
         121.0       2.5
         123.0       1.8
         124.0       3.7
         133.0       1.0
         134.0       2.2
         135.0       3.2
         136.0       6.0
         137.0       1.0
         145.0       3.6
         150.0       6.7
         151.0       2.9
         163.0      36.5
         164.0       3.9
         165.0       1.8
         177.0      28.1
         178.0     100.0
         179.0      12.3
         180.0       5.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C9 H10 N2 S 0.040 g : 0.5 ml DMSO-d6
    2-amino-5,6-dimethylbenzothiazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.42 B 7.379 C 7.166 D *1 2.228 E *1 2.213

         Hz     ppm     Int.
    

       2966.19   7.422    179
       2948.97   7.379    347
       2864.01   7.167    337
        890.38   2.228   1000
        884.40   2.213    954
    

in DMSO-d6

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KBr disc

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nujol mull

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