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N,N,N',N'-tetramethyl-10H-phenothiazine-3,7-diaminium bis(methanesulphonate)
SpectraBase Compound ID KICgJqdEi4U
InChI InChI=1S/C16H19N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-10,17H,1-4H3;2*1H3,(H,2,3,4)
InChIKey SPCMQFLNOVTUBM-UHFFFAOYSA-N
Mol Weight 477.61 g/mol
Molecular Formula C18H27N3O6S3
Exact Mass 477.106199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gO34z49eRI
Name N,N,N',N'-tetramethyl-10H-phenothiazine-3,7-diaminium bis(methanesulphonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.106199117 u
Formula C18H27N3O6S3
InChI InChI=1S/C16H19N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-10,17H,1-4H3;2*1H3,(H,2,3,4)
InChIKey SPCMQFLNOVTUBM-UHFFFAOYSA-N
Instrument Name Waters LCT Premier XE
Ionization Type EI positive ion
Molecular Weight 477.609 g/mol
Quality 873
SMILES N1C2=C(SC=3C=C(C=CC13)N(C)C)C=C(C=C2)N(C)C.OS(C)(=O)=O.OS(C)(=O)=O
SPLASH splash10-000i-2390000000-f139ad1dbffa63c80f5d
Source of Spectrum US20200246350A1
Wiley ID 1894616