二苯胺磺酸鋇(6211-24-1)核磁圖(1HNMR)
分子式:C12H13BaNO3S
分子量: 388.63
InChI:InChI=1S/2C12H11NO3S.Ba/c2*14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h2*1-9,13H,(H,14,15,16);/q;;+2/p-2
InChIKey: IVCNVXFNTKXMCA-UHFFFAOYSA-L
Smiles:[Ba+2].N(C1=CC=CC=C1)C1=CC=C(S([O-])(=O)=O)C=C1.N(C1=CC=CC=C1)C1=CC=C(S([O-])(=O)=O)C=C1
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Assign. Shift(ppm)
A 8.35
B 7.533
C 7.250
D 7.112
E 7.020
F 6.856
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
143.84 450 1 *
142.78 645 2 *
138.76 245 3
129.05 1000 4
126.79 755 5
120.01 360 6
117.17 885 7
114.72 805 8
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc