For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

α-(4-hydroxy-o-tolyl)-α-(2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid disodium salt

View entire compound with spectra: 1 NMR

α-(4-hydroxy-o-tolyl)-α-(2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid disodium salt
SpectraBase Compound ID G9kKFE1oRJ6
InChI InChI=1S/C21H18O5S.2Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26;;/h3-12,22H,1-2H3,(H,24,25,26);;/q;2*+1/p-2/b21-18-;;
InChIKey MPOLRCJGNPTOAM-LUUCHEBKSA-L
Mol Weight 426.39353856 g/mol
Molecular Formula C21H16Na2O5S
Exact Mass 426.051383 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KCEaEMpKnfR
Name α-(4-hydroxy-o-tolyl)-α-(2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid disodium salt
Source of Sample Eastman Organic Chemicals, Rochester, New York
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O5S
InChI InChI=1S/C21H18O5S.2Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26;;/h3-12,22H,1-2H3,(H,24,25,26);;/q;2*+1/p-2/b21-18-;;
InChIKey MPOLRCJGNPTOAM-LUUCHEBKSA-L
Molecular Weight 382.42
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms o-Toluenesulfonic acid, A,A-bis/4-hydroxy-O-tolyl/-A-hydroxy-, γ-sultone, disodium salt m-Cresolsulfonephthalein, disodium salt m-Cresol purple, disodium salt