Cresol Red(62625-29-0) 1H NMR
Molecular FormulaC21H19NaO5S
Molecular Weight406.43
InChIInChI=1S/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-16-;
InChIKey GBXGEGUVARLBPB-PLMZOXRSSA-M
SmilesC(=C1/C=CC(=O)C(C)=C/1)(/C1C=CC(O)=C(C)C=1)\C1C=CC=CC=1S([O-])(=O)=O.[Na+]
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Assign. Shift(ppm)
A 8.001
B 7.489
C 7.240
D 7.084
E 7.05
F 6.679
G 6.555
K 1.924
THE SOLVENT SIGNAL REMOVED.
Spectral Code: 1H NMR : 400 MHz in D2O
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Spectral Code: IR : KBr disc