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C.I. Basic Blue 9, hydrated

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

C.I. Basic Blue 9, hydrated
SpectraBase Compound ID 8OBvKtnt9Wu
InChI InChI=1S/C16H18N3S.ClH.H2O/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;1H2/q+1;;/p-1
InChIKey WQVSELLRAGBDLX-UHFFFAOYSA-M
Mol Weight 337.87 g/mol
Molecular Formula C16H20ClN3OS
Exact Mass 337.101561 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FhG361dT2WX
Name C.I. BASIC BLUE 9, HYDRATED
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Catalog Number M 501
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClN3OS
InChI InChI=1S/C16H18N3S.ClH.H2O/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;1H2/q+1;;/p-1
InChIKey WQVSELLRAGBDLX-UHFFFAOYSA-M
Molecular Weight 337.868009
Synonyms METHYLENE BLUE, HYDRATED CI BASIC BLUE 9, HYDRATED PHENOTHIAZIN-5-IUM CHLORIDE, 3,7-BIS/DIMETHYLAMINO/-, HYDRATED
Technique KBr WAFER