29927-08-0

2-氨基-5,6-二甲基苯并噻唑(29927-08-0)核磁图(¹HNMR)

产品名称:2-氨基-5,6-二甲基苯并噻唑

CAS:29927-08-0

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

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

¹H NMR	399.65 MHz
C₉ H₁₀ N₂ S	0.040 g : 0.5 ml DMSO-d₆
2-amino-5,6-dimethylbenzothiazole

    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

KBr disc

nujol mull

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2-氨基-5,6-二甲基苯并噻唑(29927-08-0)核磁图(1HNMR)

2-氨基-5,6-二甲基苯并噻唑(29927-08-0)核磁图(¹HNMR)