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Sodium 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-methylbenzenolate
SpectraBase Compound ID KNg0oCcsxJs
InChI InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21;/h3-10,24-25H,1-2H3;/q;+1/p-1
InChIKey WNOIORUCCYNQPE-UHFFFAOYSA-M
Mol Weight 562.20376928 g/mol
Molecular Formula C21H15Br2NaO5S
Exact Mass 559.890465 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3lylyvPpBqv
Name Sodium 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-methylbenzenolate
Source of Sample Sigma-Aldrich Company Llc.
Catalog Number 860891
Lot Number MKBF9407V
CAS Registry Number 62625-30-3
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15Br2NaO5S
InChI InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21;/h3-10,24-25H,1-2H3;/q;+1/p-1
InChIKey WNOIORUCCYNQPE-UHFFFAOYSA-M
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Sample Comments indicator grade, Dye content 90 %
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)