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alpha-(5-bromo-4-hydroxy-m-tolyl)-alpha-(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid, monosodium salt

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alpha-(5-bromo-4-hydroxy-m-tolyl)-alpha-(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid, monosodium salt
SpectraBase Compound ID JRHv9kjzeij
InChI InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1
InChIKey KVSJYIXUWNOWBD-UHFFFAOYSA-M
Mol Weight 562.20376928 g/mol
Molecular Formula C21H15Br2NaO5S
Exact Mass 559.890465 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hrvmiyIF6P
Name alpha-(5-bromo-4-hydroxy-m-tolyl)-alpha-(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid, monosodium salt
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15Br2NaO5S
InChI InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1
InChIKey KVSJYIXUWNOWBD-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Sadtler NMR Number 47910M
Solvent DMSO-d6