四溴磺酚钠(71-67-0)核磁图(1HNMR)
分子式:C20H11Br4NaO10S2
分子量: 818.02
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
-
![图谱](https://www.chemicalbook.com/Spectrum/71-67-0_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C20 H8 Br4 Na2 O10 S2
|
0.040 g : 0.5 ml DMSO-d6
|
sulfobromophthalein sodium
|
![ChemicalStructure](Spectrum/71-67-0_1HNMR_2_0.jpg) |
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
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![图谱](https://www.chemicalbook.com/Spectrum/71-67-0_1HNMR.gif)
1H NMR |
89.56 MHz |
C20 H8 Br4 Na2 O10 S2
|
0.045 g : 0.5 ml D2O
|
sulfobromophthalein sodium
|
![ChemicalStructure](Spectrum/71-67-0_1HNMR_2_0.jpg) |
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