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16407-55-9

N-ALLYLBENZOTHIAZOLIUM BROMIDE

Product Name N-ALLYLBENZOTHIAZOLIUM BROMIDE

CAS16407-55-9

MFC10H10BrNS

MW256.16

More

  • 16407-55-9_ms
    Mass

    MS-IW-5823          
    3-allylbenzothiazolium bromide
    C10H10BrNS          (Mass of molecular ion:    255)
    

       Source Temperature: 180 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          37.0       1.3
          38.0       2.1
          39.0      10.9
          40.0       1.2
          41.0      49.5
          42.0       1.7
          45.0       2.5
          50.0       1.2
          53.0       1.0
          54.0       8.0
          58.0       4.9
          62.0       1.1
          63.0       4.3
          64.0       1.2
          67.5       4.7
          69.0      10.5
          77.0       1.2
          80.0       1.1
          81.0       1.4
          82.0       5.9
          84.0       1.4
          91.0       7.4
         107.0       1.1
         108.0      32.7
         109.0       3.3
         110.0       1.6
         120.0       9.2
         122.0       8.8
         134.0       1.8
         135.0     100.0
         136.0       9.3
         137.0       4.9
         268.0       2.8
         309.0       1.9
    

400 MHz in DMSO-d6

  • 16407-55-9_1hnmr

    1H NMR 399.65 MHz
    C10 H10 Br N S 0.039 g : 0.5 ml DMSO-d6
    3-allylbenzothiazolium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.793 B 8.631 C 8.382 D 7.943 E 7.876 F 6.190 G 5.632 J 5.532 K 5.463

         Hz     ppm     Int.
    

       4313.96  10.795   1000
       3454.44   8.644    309
       3446.81   8.625    327
       3446.35   8.624    325
       3445.74   8.622    316
       3354.34   8.394    328
       3345.95   8.373    376
       3183.75   7.967    159
       3182.37   7.963    176
       3176.42   7.949    289
       3175.20   7.945    374
       3173.98   7.942    180
       3168.03   7.928    268
       3166.81   7.924    243
       3155.21   7.895    239
       3153.99   7.892    258
       3146.97   7.875    340
       3145.90   7.872    267
       3139.80   7.857    151
       3138.73   7.854    146
       2494.81   6.243     60
       2488.86   6.228    145
       2484.44   6.217     77
       2482.91   6.213     78
       2478.49   6.202    182
       2471.77   6.185    193
       2467.35   6.174     85
       2465.82   6.170     93
       2461.40   6.159    181
       2455.44   6.144     84
       2253.72   5.640    500
       2247.77   5.625    480
       2220.31   5.556    117
       2218.93   5.553    274
       2217.71   5.550    286
       2203.06   5.513    105
       2201.84   5.510    243
       2200.62   5.507    248
       2190.09   5.481    127
       2188.87   5.477    319
       2187.81   5.475    303
       2179.72   5.455    122
       2178.65   5.452    293
       2177.43   5.449    295
    

in DMSO-d6

  • 16407-55-9_13cnmr

KBr disc

  • 16407-55-9_ir1_2

nujol mull

  • 16407-55-9_ir2