John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L5DlEKO6MRO SpectraBase Spectrum ID=10wyLV945KP

(accessed ).
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 825.97076928 g/mol
Molecular Formula C45H44N3NaO7S2
Exact Mass 825.251839 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 10wyLV945KP
Name C.I. ACID BLUE 83
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number 20140
Copyright Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 825.971008
SpectraBase Batch ID 4OZwcR5i7I2
Synonyms AMMONIUM HYDROXIDE, ETHYL/4-/P- /ETHYL/M-SULFOBENZYL/AMINO/-A-/P- /P-PHENETIDINO/PHENYL/BENZYLIDENE/- 2,5-CYCLOHEXADIEN-1-YLIDENE//M-SULFO- BENZYL/-, INNER SALT, MONOSODIUM SALT CI ACID BLUE 83
Technique KBr WAFER