2-氨基-4-甲基苯并噻唑(1477-42-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-氨基-4-甲基苯并噻唑

CAS:1477-42-5

分子式:C8H8N2S

分子量: 164.23

InChI:InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)

InChIKey: GRIATXVEXOFBGO-UHFFFAOYSA-N

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

Mass

MS-NW-6340          
2-amino-4-methylbenzothiazole
C8H8N2S             (Mass of molecular ion:    164)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.8
      27.0       1.2
      28.0       1.0
      38.0       1.2
      39.0       4.1
      44.0       1.1
      45.0       3.6
      50.0       2.0
      51.0       4.2
      52.0       2.1
      60.0       1.7
      61.0       1.3
      62.0       1.3
      63.0       2.9
      64.0       1.2
      65.0       3.0
      66.0       2.0
      69.0       5.1
      70.0       1.5
      76.0       1.4
      77.0       6.9
      78.0       5.8
      81.0       1.0
      82.0       6.6
      92.0       2.1
      93.0       2.5
      95.0       1.0
     102.0       1.0
     103.0       2.0
     104.0       7.0
     105.0       7.8
     106.0       1.6
     109.0       4.1
     110.0       7.9
     119.0       1.2
     121.0       9.0
     122.0       4.5
     123.0       1.2
     131.0       7.3
     132.0       1.7
     136.0       8.5
     137.0       7.2
     138.0       1.1
     146.0       1.4
     163.0      34.7
     164.0     100.0
     165.0      11.8
     166.0       5.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ N₂ S	0.047 g : 0.5 ml CDCl₃
2-amino-4-methylbenzothiazole

    Assign.     Shift(ppm)

      A             7.38
      B             7.07
      C             7.02
      D             6.34
      E             2.503
     
     J(A,C)=7.0HZ. J(A,B)=2.2HZ. J(A,E)=0.5HZ.

     Hz     ppm     Int.

    666.88   7.447     58
    666.38   7.441     59
    665.31   7.429     31
    664.69   7.422     66
    663.94   7.414     65
    663.19   7.405     25
    659.94   7.369     92
    659.56   7.365     90
    657.69   7.344    103
    657.13   7.338    102
    638.50   7.130     41
    637.75   7.121     39
    633.31   7.072    158
    632.81   7.066    174
    631.56   7.052    417
    630.38   7.039    130
    624.75   6.976    156
    617.38   6.894     43
    567.50   6.337    106
    224.13   2.503   1000

in CDCl3