ALLURA RED AC(25956-17-6) IR1
Product NameALLURA RED AC
CAS25956-17-6
Molecular FormulaC18H17N2NaO8S2
Molecular Weight476.45
InChIInChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
InChIKey CEZCCHQBSQPRMU-LLIZZRELSA-L
SmilesC12C=CC(S([O-])(=O)=O)=CC1=CC=C(O)C=2/N=N/C1=CC(=C(S([O-])(=O)=O)C=C1OC)C.[Na+].[Na+]
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C18 H14 N2 Na2 O8 S2 0.029 g : 0.5 ml DMSO-d6 FG and C Red No 40 
Assign. Shift(ppm)
A 16.5 B 8.497 C 8.011 D 7.986 E 7.852 F 7.847 G 7.585 J 6.826 K 3.979 L 2.623
Hz ppm Int.6612.55 16.546 259 3400.39 8.509 167 3391.85 8.488 186 3202.88 8.015 227 3201.17 8.010 223 3196.78 7.999 160 3187.26 7.976 164 3140.14 7.858 193 3138.43 7.853 381 3131.84 7.837 139 3129.88 7.832 129 3031.49 7.586 393 2733.15 6.839 217 2723.63 6.816 224 1590.33 3.980 1000 1048.34 2.624 827
in DMSO-d6
KBr disc
nujol mull
