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1,7-Dicyanobenzo[1,2,3-de:4,5,6-d'e']diquinoline-2,8-diyl bis(trifluoromethanesulfonate)
SpectraBase Compound ID 4RmjaltmzTf
InChI InChI=1S/C22H6F6N4O6S2/c23-21(24,25)39(33,34)37-19-12(8-30)16-10-4-2-6-14-18(10)15(9-3-1-5-13(31-19)17(9)16)11(7-29)20(32-14)38-40(35,36)22(26,27)28/h1-6H
InChIKey KZUKYYDKJRNXHI-UHFFFAOYSA-N
Mol Weight 600.42 g/mol
Molecular Formula C22H6F6N4O6S2
Exact Mass 599.963295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JHd6px3w4J
Name 1,7-Dicyanobenzo[1,2,3-de:4,5,6-d'e']diquinoline-2,8-diyl bis(trifluoromethanesulfonate)
Appearance Brownish yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 599.963295249 u
Formula C22H6F6N4O6S2
InChI InChI=1S/C22H6F6N4O6S2/c23-21(24,25)39(33,34)37-19-12(8-30)16-10-4-2-6-14-18(10)15(9-3-1-5-13(31-19)17(9)16)11(7-29)20(32-14)38-40(35,36)22(26,27)28/h1-6H
InChIKey KZUKYYDKJRNXHI-UHFFFAOYSA-N
Instrument Name ThermoQuest MAT95XL
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.661
Molecular Weight 600.422 g/mol
SMILES C1=2N=C(C(C#N)=C3C=4C=CC=C5N=C(OS(C(F)(F)F)(=O)=O)C(C#N)=C(C(=C13)C=CC2)C45)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0udi-0022109000-e96092b6fdfd9d36e60a
Source of Spectrum ARK-2022-39-9 (DOI: 10.24820/ark.5550190.p011.661)
Wiley ID 1896874