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THYMOL BLUE (QUINONE FORM)
SpectraBase Compound ID AZIiNaH3Te
InChI InChI=1S/C27H30O5S/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6/h7-16,28H,1-6H3,(H,30,31,32)/b27-23+
InChIKey KCQJYHASKWHRMM-SLEBQGDGSA-N
Mol Weight 466.59 g/mol
Molecular Formula C27H30O5S
Exact Mass 466.181395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNDo0xPQIVZ
Name THYMOL BLUE (QUINONE FORM)
Comments #O
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Formula C27H30O5S
InChI InChI=1S/C27H30O5S/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6/h7-16,28H,1-6H3,(H,30,31,32)/b27-23+
InChIKey KCQJYHASKWHRMM-SLEBQGDGSA-N
Instrument Name Bruker WM-250
Literature Reference A.S.MURAKHOVSKAYA, A.U.STEPANYANTS (1989) Zhurn.Fizich.Khim.(Russ. Lang.): v.63,N11, 3131-3135.
NMR Standard C4H8O2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent (CD3)2CO/H2O