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Brillant Blue R
SpectraBase Compound ID L5DlEKO6MRO
InChI InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1
InChIKey NKLPQNGYXWVELD-UHFFFAOYSA-M
Mol Weight 826.0 g/mol
Molecular Formula C45H44N3NaO7S2
Exact Mass 825.251837 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8NQYaNbHtDj
Name Diethyl-di-m-sulfobenzyl-p-amino-p-(4-ethoxyanilino)-fuchsonimonium(Na salt des inn.sulfonats)
CAS Registry Number 106953-22-4
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Formula C45H44N3NaO7S2
InChI InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1
InChIKey NKLPQNGYXWVELD-UHFFFAOYSA-M
Instrument Name Bruker IFS 85
Technique KBr-Pellet