Bromoxylenol Blue(40070-59-5) IR1

Molecular FormulaC23H20Br2O5S

Molecular Weight568.27

InChIInChI=1S/C23H20Br2O5S/c1-11-9-16(26)13(3)21(24)19(11)23(20-12(2)10-17(27)14(4)22(20)25)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,26-27H,1-4H3

InChIKey UPGCKQSJVVNCRM-UHFFFAOYSA-N

SmilesS1(=O)(=O)C2=CC=CC=C2C(C2=C(C)C=C(O)C(C)=C2Br)(C2=C(C)C=C(O)C(C)=C2Br)O1

Request For Quotation

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₃ H₂₀ Br₂ O₅ S	0.039 g : 0.5 ml DMSO-d₆
bromoxylenol blue

    Assign.     Shift(ppm)

      A             7.936
      B             7.421
      C             7.358
      D     *1      7.06
      E     *1      6.92
      F             6.874
      G     *2      2.050
      J     *2      2.006
      K     *2      1.904
      L     *2      1.889

     Hz     ppm     Int.

   3176.51   7.949    214
   3175.29   7.946    242
   3168.82   7.929    233
   3167.60   7.926    248
   2977.42   7.451    104
   2976.56   7.448    110
   2976.07   7.447    112
   2973.88   7.442    183
   2972.53   7.438    197
   2970.34   7.433    125
   2969.85   7.432    124
   2968.99   7.429    125
   2968.51   7.428    132
   2966.43   7.423    292
   2965.09   7.420    304
   2961.91   7.412    118
   2961.30   7.410    114
   2958.86   7.404    228
   2957.40   7.400    234
   2947.88   7.377    191
   2946.41   7.373    208
   2940.31   7.358    248
   2938.96   7.354    266
   2932.86   7.339    127
   2931.64   7.336    127
   2819.46   7.055    129
   2751.46   6.885    223
   2750.24   6.882    236
   2743.90   6.866    210
   2742.68   6.863    216
    819.58   2.051    978
    801.76   2.007   1000
    761.11   1.905    661
    755.00   1.890    952

KBr disc