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四溴磺酚钠(71-67-0)核磁图(13CNMR)

产品名称:四溴磺酚钠

CAS:71-67-0

分子式:C20H8Br4Na2O10S2

分子量: 838

InChI:InChI=1S/C20H10Br4O10S2.2Na/c21-16-14(15(20(27)28)17(22)19(24)18(16)23)13(7-1-3-9(25)11(5-7)35(29,30)31)8-2-4-10(26)12(6-8)36(32,33)34;;/h1-6,25H,(H,27,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b13-8-;;

InChIKey: HXUITPQMHVLBNV-KEZMYAPCSA-L

Smiles:C(=C1/C=CC(=O)C(S([O-])(=O)=O)=C/1)(/C1C=CC(O)=C(S([O-])(=O)=O)C=1)\C1=C(Br)C(=C(Br)C(Br)=C1C(=O)O)Br.[Na+].[Na+]

400 MHz in DMSO-d6

90 MHz in D2O


  • 1H NMR 399.65 MHz
    C20 H8 Br4 Na2 O10 S2 0.040 g : 0.5 ml DMSO-d6
    sulfobromophthalein sodium
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.64 B 7.328 C 7.164 D 6.853

         Hz     ppm     Int.
    

       4253.08  10.643    277
       2930.15   7.332    999
       2927.55   7.326   1000
       2869.42   7.180    521
       2866.82   7.174    442
       2860.72   7.159    597
       2858.12   7.152    561
       2743.07   6.864    947
       2734.53   6.843    861
    


  • 1H NMR 89.56 MHz
    C20 H8 Br4 Na2 O10 S2 0.045 g : 0.5 ml D2O
    sulfobromophthalein sodium
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.73 B 7.23 C 6.87 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        693.81   7.747   1000
        691.50   7.722    966
        653.25   7.294    423
        652.50   7.286    311
        651.56   7.276    301
        650.88   7.268    326
        644.94   7.202    513
        644.63   7.198    528
        642.19   7.171    525
        620.19   6.925    306
        618.50   6.906    902
        609.81   6.809    613
    

in DMSO-d6



KBr disc



nujol mull



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