5683-41-0

2,5,6-三甲基苯并噻唑(5683-41-0)红外图谱(IR1)

产品名称:2,5,6-三甲基苯并噻唑

CAS:5683-41-0

分子式:C10H11NS

分子量: 177.27

InChI:InChI=1S/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3

InChIKey: ZZLZXZFVVOXVRG-UHFFFAOYSA-N

Smiles:S1C2=CC(C)=C(C)C=C2N=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0201          
2,5,6-trimethylbenzothiazole
C10H11NS            (Mass of molecular ion:    177)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.4
      28.0       1.3
      39.0       4.9
      41.0       1.3
      45.0       3.2
      50.0       1.4
      51.0       4.3
      52.0       1.2
      53.0       1.2
      59.0       2.1
      63.0       2.5
      65.0       4.4
      67.0       2.2
      69.0       5.3
      70.0       1.5
      71.0       1.3
      75.0       1.0
      77.0       4.9
      78.0       1.0
      82.0       1.1
      83.0       1.0
      87.5       1.3
      88.5       5.0
      89.0       2.6
      90.0       1.3
      91.0      13.2
      92.0       7.3
      93.0       1.7
      95.0       1.3
     102.0       1.8
     103.0       1.2
     118.0       1.1
     121.0       9.4
     122.0       1.0
     132.0       1.1
     134.0       6.3
     135.0      16.5
     136.0      13.3
     137.0       2.0
     144.0       2.6
     149.0       1.0
     162.0      55.6
     163.0       6.2
     164.0       2.9
     175.0       1.2
     176.0      36.0
     177.0     100.0
     178.0      13.5
     179.0       5.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₁ N S	0.040 g : 0.05 ml CDCl₃
2,5,6-trimethylbenzothiazole

    Assign.     Shift(ppm)

      A             7.698
      B             7.525
      C             2.776
      D     *1      2.357
      E     *1      2.334

     Hz     ppm     Int.

   3076.66   7.699    181
   3007.57   7.526    186
   1109.50   2.777   1000
    942.02   2.358    612
    932.74   2.334    586

in CDCl3

Nujol

更多供应商