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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 GTShSRdPOiQ
Name Methylene Blue
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5951
Molecular Weight 319.854 g/mol
SMILES [Cl-].c1cc2c(cc1N(C)C)SC=1C(=N2)C=CC(C1)=[N+](C)C
SPLASH splash10-0fb9-8960000000-d35ca621b24e8d5d11e0
Source of Spectrum AOC-34-SM17-MB
Wiley ID 1855719