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Back ChemicalBook Home>CAS DataBase List>74385-09-4More Spectrum> 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) 1H NMR

74385-09-4

3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) 1H NMR

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) <sup>1</sup>H NMR

    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) <sup>1</sup>H NMR

KBr disc

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) <sup>1</sup>H NMR

nujol mull

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) <sup>1</sup>H NMR

  • 3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) <sup>1</sup>H NMR

3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE(74385-09-4) 1H NMR Atlas of Related Products

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