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Methylene blue
SpectraBase Compound ID FNTSDUMClVl
InChI InChI=1S/C16H18N3S.ClH/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/q+1;/p-1
InChIKey CXKWCBBOMKCUKX-UHFFFAOYSA-M
Mol Weight 319.85 g/mol
Molecular Formula C16H18ClN3S
Exact Mass 319.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCqDQ1oLOuJ
Name Methylene blue
Alternate Name(s) 3,7-bis(dimethylamino)phenothiazin-5-ium chloride [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium chloride [7-(dimethylamino)-3-phenothiazinylidene]-dimethylammonium;chloride [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-azanium;chloride
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Formula C16H18ClN3S
InChI InChI=1S/C16H18N3S.ClH/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/q+1;/p-1
InChIKey CXKWCBBOMKCUKX-UHFFFAOYSA-M
Molecular Weight 319.854 g/mol
SMILES [Cl-].c12[s+]c3c(nc1ccc(c2)N(C)C)ccc(c3)N(C)C
SPLASH splash10-0079-0090000000-9a04e9ebf939371c7dc6
Source of Spectrum JA-7-737-0
Wiley ID 1319284