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Back ChemicalBook Home>CAS DataBase List>74385-09-4More Spectrum> 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

74385-09-4

3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

Molecular FormulaC9H8BrNO2S

Molecular Weight274.13

InChIInChI=1S/C9H7NO2S.BrH/c11-9(12)5-10-6-13-8-4-2-1-3-7(8)10;/h1-4,6H,5H2;1H

InChIKey UEINBJHBQWSAHA-UHFFFAOYSA-N

SmilesC12C=CC=CC=1SC=[N+]2CC(=O)O.[Br-]

400 MHz in DMSO-d6

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

    1H NMR 399.65 MHz
    C9 H8 Br N O2 S 0.040 g : 0.5 ml DMSO-d6
    3-(carboxymethyl)benzothiazolium bromide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.862
      B             8.620
      C             8.364
      D             7.934
      E             7.867
      F             5.950
  

         Hz     ppm     Int.


       4341.28  10.863    646
   3449.55   8.632    225
   3449.10   8.631    217
   3441.47   8.612    239
   3440.86   8.610    221
   3347.32   8.376    226
   3338.93   8.355    249
   3180.08   7.958    103
   3178.86   7.955    104
   3172.76   7.939    193
   3171.54   7.936    219
   3164.37   7.918    159
   3163.15   7.915    137
   3151.09   7.885    161
   3150.18   7.883    158
   3142.85   7.865    223
   3135.53   7.846     99
   3134.92   7.845     90
   2378.23   5.951   1000

in DMSO-d6

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

KBr disc

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

nujol mull

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2

3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) IR2 Atlas of Related Products

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