16407-55-9

溴化3-烯丙基苯并噻唑翁(16407-55-9)核磁图(¹HNMR)

产品名称:溴化3-烯丙基苯并噻唑翁

CAS:16407-55-9

分子式:C10H10BrNS

分子量: 256.16

InChI:InChI=1S/C10H10NS.BrH/c1-2-7-11-8-12-10-6-4-3-5-9(10)11;/h2-6,8H,1,7H2;1H/q+1;/p-1

InChIKey: MEYXQRPXVJWXBZ-UHFFFAOYSA-M

Smiles:C12C=CC=CC=1SC=[N+]2CC=C.[Br-]

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

¹H NMR	399.65 MHz
C₁₀ H₁₀ Br N S	0.039 g : 0.5 ml DMSO-d₆
3-allylbenzothiazolium bromide

    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