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10-Methyl-9-isothiocyanatoacridinium trifluorpmethanesulfonate
SpectraBase Compound ID 9uxU65gvHDV
InChI InChI=1S/C15H11N2S.CHF3O3S/c1-17-13-8-4-2-6-11(13)15(16-10-18)12-7-3-5-9-14(12)17;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey MGNHVHXHAXNDMV-UHFFFAOYSA-M
Mol Weight 400.39 g/mol
Molecular Formula C16H11F3N2O3S2
Exact Mass 400.016319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yDUTCmJ0C0
Name 10-Methyl-9-isothiocyanatoacridinium trifluorpmethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N2O3S2
InChI InChI=1S/C15H11N2S.CHF3O3S/c1-17-13-8-4-2-6-11(13)15(16-10-18)12-7-3-5-9-14(12)17;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey MGNHVHXHAXNDMV-UHFFFAOYSA-M
Molecular Weight 400.390 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c12[n+](c3c(c(c2cccc1)N=C=S)cccc3)C
SPLASH splash10-004r-0090000000-e7392a3962f7bf05e9c4
Source of Spectrum O1-55-284-4
Synonyms 10-Methyl-9-isothiocyanatoacridinium trifluoromethanesulfonate 9-isothiocyanato-10-methyl-acridin-10-ium triflate 9-isothiocyanato-10-methyl-acridin-10-ium; trifluoromethanesulfonate 9-isothiocyanato-10-methyl-acridin-10-ium; tris(fluoranyl)methanesulfonate 9-isothiocyanato-10-methylacridin-10-ium;trifluoromethanesulfonate 9-isothiocyanato-10-methyl-acridin-10-ium;trifluoromethanesulfonate 9-isothiocyanato-10-methylacridinium trifluoromethanesulfonate 9-isothiocyanato-10-methyl-acridin-10-ium;tris(fluoranyl)methanesulfonate
Wiley ID 1591153