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Back ChemicalBook Home>CAS DataBase List>14468-40-7More Spectrum> 2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1

14468-40-7

2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1

Molecular FormulaC8H4F3NS

Molecular Weight203.18

InChIInChI=1S/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H

InChIKey TWIPCCMPIAFOKZ-UHFFFAOYSA-N

SmilesS1C2=CC=CC=C2N=C1C(F)(F)F

  • 2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1
    Mass

    MS-NW-5598          
    2-(trifluoromethyl)benzothiazole
    C8H4F3NS            (Mass of molecular ion:    203)
    

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

          28.0       1.5
          37.0       1.5
          38.0       2.1
          39.0       4.0
          45.0       2.9
          50.0       2.6
          51.0       1.3
          58.0       5.0
          61.0       1.0
          62.0       2.0
          63.0       7.2
          64.0       2.4
          69.0      19.5
          70.0       1.1
          74.0       1.3
          75.0       1.7
          81.0       2.0
          82.0       8.2
          90.0       2.1
          93.0       1.1
         102.0       1.7
         107.0       2.0
         108.0      29.8
         109.0       2.4
         110.0       1.4
         113.0       1.3
         133.0       1.4
         134.0       3.6
         153.0      13.1
         154.0       1.2
         184.0       7.4
         203.0     100.0
         204.0      10.0
         205.0       5.0
    

90 MHz in CDCl3

  • 2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1

    1H NMR 89.56 MHz
    C8 H4 F3 N S 0.04 ml : 0.5 ml CDCl3
    2-(trifluoromethyl)benzothiazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.189 B 7.962 C 7.62 D 7.53

         Hz     ppm     Int.
    

        739.00   8.252    230
        738.44   8.246    247
        736.31   8.222    254
        735.06   8.208    242
        733.69   8.193    177
        730.88   8.161    263
        729.56   8.147    334
        728.88   8.139    351
        719.06   8.029    284
        718.38   8.022    276
        716.88   8.005    284
        714.13   7.974    206
        713.13   7.963    302
        711.88   7.949    366
        709.63   7.924    471
        708.94   7.916    427
        705.63   7.879    112
        690.63   7.712     91
        688.38   7.687    265
        683.44   7.632    839
        681.63   7.611    809
        681.25   7.607    741
        677.63   7.567   1000
        674.38   7.530    485
        673.75   7.523    632
        672.38   7.508    496
        667.19   7.450    113
    

liquid film

  • 2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1

2-(Trifluoromethyl)benzothiazole(14468-40-7) IR1 Atlas of Related Products

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