DIPHENYLAMINE-4-SULFONIC ACID BARIUM SALT(6211-24-1) 13C NMR
Product NameDIPHENYLAMINE-4-SULFONIC ACID BARIUM SALT
CAS6211-24-1
Molecular FormulaC12H13BaNO3S
Molecular Weight388.63
InChIInChI=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 6.856Spectral 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 8Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc
