SULFONAZO III(68504-35-8) 13C NMR
Product NameSULFONAZO III
CAS68504-35-8
Molecular FormulaC22H12N4Na4O14S4
Molecular Weight776.57
InChIInChI=1S/C22H16N4O14S4.4Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;;;;/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4/b25-23+,26-24+;;;;
InChIKey FCMRBZBGGXLKBC-KBJWUIGUSA-J
Smiles[Na+].[Na+].[Na+].[Na+].C1=C2C(C(=C(/N=N/C3=CC=CC=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)O)=C(O)C(/N=N/C2=CC=CC=C2S([O-])(=O)=O)=C1S([O-])(=O)=O
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C22 H12 N4 Na4 O14 S4 0.038 g : 0.5 ml DMSO-d6 4,5-dihydroxy-3,6-bis(o-sulfophenylazo)-2,7-naphthalenedisulfonic acid tetrasodium salt 
Assign. Shift(ppm)
A 16.4 B 8.141 C 7.846 D 7.533 E 7.502 F 7.373 ASSIGNED BY C-H COSY.
Hz ppm Int.6577.88 16.460 35 6567.38 16.433 179 3257.57 8.152 349 3250.00 8.133 377 3140.87 7.860 321 3139.40 7.856 338 3133.06 7.840 363 3131.84 7.837 367 3020.02 7.557 163 3018.80 7.554 164 3011.72 7.536 305 3007.81 7.527 60 3004.64 7.519 208 3003.42 7.516 226 2998.54 7.503 1000 2954.35 7.393 212 2953.37 7.390 210 2946.78 7.374 327 2946.04 7.372 329 2942.14 7.362 39 2939.45 7.356 165 2938.48 7.353 168
in DMSO-d6
KBr disc
