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alpha-(3,5-dibromo-4-hydroxyphenyl)-alpha-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid, monosodium salt

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alpha-(3,5-dibromo-4-hydroxyphenyl)-alpha-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid, monosodium salt
SpectraBase Compound ID 9DZuKBaZG59
InChI InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
InChIKey TWKDJMRHSLWRFI-UHFFFAOYSA-M
Mol Weight 691.94 g/mol
Molecular Formula C19H9Br4NaO5S
Exact Mass 687.680191 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAECWfNQMjp
Name alpha-(3,5-dibromo-4-hydroxyphenyl)-alpha-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluenesulfonic acid, monosodium salt
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H9Br4NaO5S
InChI InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
InChIKey TWKDJMRHSLWRFI-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Sadtler NMR Number 33628M
Solvent D2O