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C.I. Basic Blue 9, dihydrate

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

C.I. Basic Blue 9, dihydrate
SpectraBase Compound ID KfGaF4wbIPU
InChI InChI=1S/C16H18N3S.ClH.2H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;/h5-10H,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKey ULEZOVPNGWYYGH-UHFFFAOYSA-M
Mol Weight 355.88 g/mol
Molecular Formula C16H22ClN3O2S
Exact Mass 355.112126 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7eI6kqDokth
Name C.I. BASIC BLUE 9, DIHYDRATE
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22ClN3O2S
InChI InChI=1S/C16H18N3S.ClH.2H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;/h5-10H,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKey ULEZOVPNGWYYGH-UHFFFAOYSA-M
Molecular Weight 355.882580
Synonyms C.I. BASIC BLUE 9, DIHYDRATE CI BASIC BLUE 9, DIHYDRATE METHYLENE BLUE, DIHYDRATE PHENOTHIAZIN-5-IUM CHLORIDE, 3,7-BIS/DIMETHYLAMINO/-, DIHYDRATE PHENAZATHIONIUM CHLORIDE, 3,7- BIS/DIMETHYLAMINO/-, DIHYDRATE
Technique KBr WAFER