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Brillant Blue R

View entire compound with spectra: 8 FTIR

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 825.251837 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID A09P1e2m3gw
Name Coomassie Brilliant Blue R-250 Dye
Source of Sample Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany
Catalog Number 234736
Lot Number 301100
Accessory DurasamplIR II
CAS Registry Number 6104-59-2
Compound Type Pure
Copyright Copyright © 2012-2024 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
Instrument Name Bio-Rad FTS
SMILES N(c1ccc(\C(c2ccc(cc2)N(Cc2cc(ccc2)S(=O)(=O)[O-])CC)=C\2C=C\C(C=C2)=[N+]\(Cc2cccc(c2)S(=O)(=O)[O-])CC)cc1)c1ccc(cc1)OCC.[Na+]
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat (DuraSamplIR II)