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C.I. Mordant Blue 29

View entire compound with spectra: 1 NMR, and 1 FTIR

C.I. Mordant Blue 29
SpectraBase Compound ID 5eMPHlQ7ggf
InChI InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3
InChIKey FUIZKNBTOOKONL-UHFFFAOYSA-K
Mol Weight 605.28 g/mol
Molecular Formula C23H13Cl2Na3O9S
Exact Mass 603.935041 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID G2zRxbamLI0
Name C.I. MORDANT BLUE 29
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number 19953
CAS Registry Number 1667-99-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H13Cl2Na3O9S
InChI InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3
InChIKey FUIZKNBTOOKONL-UHFFFAOYSA-K
Melting Point >300C
Molecular Weight 605.286130
Synonyms SALICYLIC ACID, 5-/A-/3-CARBOXY- 5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL- IDENE/-2,6-DICHLORO-3-SULFOBENZYL/- 3-METHYL-, TRISODIUM SALT CHROMAZUROL S CI MORDANT BLUE 29
Technique KBr WAFER