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N-Methyl-N-[(4-nitrophenyl)(oxo)(phenyl)-lamda6-sulfaneylidene]methanaminium trifluoromethanesulfonate
SpectraBase Compound ID FIypzrqDU1c
InChI InChI=1S/C14H15N2O3S.CHF3O3S/c1-15(2)20(19,13-6-4-3-5-7-13)14-10-8-12(9-11-14)16(17)18;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey TWAOQIITAPXFBJ-UHFFFAOYSA-M
Mol Weight 440.41 g/mol
Molecular Formula C15H15F3N2O6S2
Exact Mass 440.032363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1drLWgN0F54
Name N-Methyl-N-[(4-nitrophenyl)(oxo)(phenyl)-lamda6-sulfaneylidene]methanaminium trifluoromethanesulfonate
Appearance Light yellow solid
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Formula C15H15F3N2O6S2
InChI InChI=1S/C14H15N2O3S.CHF3O3S/c1-15(2)20(19,13-6-4-3-5-7-13)14-10-8-12(9-11-14)16(17)18;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey TWAOQIITAPXFBJ-UHFFFAOYSA-M
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/asia.202200828
Molecular Weight 440.408 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c1(S(=O)(c2ccccc2)=[N+](C)C)ccc(cc1)[N+]([O-])=O
SPLASH splash10-001s-9110000000-de472ae4e75488a82e48
Source of Spectrum CAJ-17-SM7-5h
Wiley ID 1876071