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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3wq5yhU7WlC
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
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 62625-30-3
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 562.22
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20