Bromoxylenol Blue(40070-59-5) 1H NMR
Product NameBromoxylenol Blue
CAS40070-59-5
Molecular FormulaC23H20Br2O5S
Molecular Weight568.27
InChIInChI=1S/C23H20Br2O5S/c1-11-9-16(26)13(3)21(24)19(11)23(20-12(2)10-17(27)14(4)22(20)25)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,26-27H,1-4H3
InChIKey UPGCKQSJVVNCRM-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=CC=CC=C2C(C2=C(C)C=C(O)C(C)=C2Br)(C2=C(C)C=C(O)C(C)=C2Br)O1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C23 H20 Br2 O5 S 0.039 g : 0.5 ml DMSO-d6 bromoxylenol blue 
Assign. Shift(ppm)
A 7.936 B 7.421 C 7.358 D *1 7.06 E *1 6.92 F 6.874 G *2 2.050 J *2 2.006 K *2 1.904 L *2 1.889
Hz ppm Int.3176.51 7.949 214 3175.29 7.946 242 3168.82 7.929 233 3167.60 7.926 248 2977.42 7.451 104 2976.56 7.448 110 2976.07 7.447 112 2973.88 7.442 183 2972.53 7.438 197 2970.34 7.433 125 2969.85 7.432 124 2968.99 7.429 125 2968.51 7.428 132 2966.43 7.423 292 2965.09 7.420 304 2961.91 7.412 118 2961.30 7.410 114 2958.86 7.404 228 2957.40 7.400 234 2947.88 7.377 191 2946.41 7.373 208 2940.31 7.358 248 2938.96 7.354 266 2932.86 7.339 127 2931.64 7.336 127 2819.46 7.055 129 2751.46 6.885 223 2750.24 6.882 236 2743.90 6.866 210 2742.68 6.863 216 819.58 2.051 978 801.76 2.007 1000 761.11 1.905 661 755.00 1.890 952
KBr disc
nujol mull
