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8-Nitro-5-(3-(trifluoromethyl)phenyl)-7-((3-(trifluoromethyl)phenyl)amino)-5,10-dihydropyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile

View entire compound with spectra: 1 MS (GC)

8-Nitro-5-(3-(trifluoromethyl)phenyl)-7-((3-(trifluoromethyl)phenyl)amino)-5,10-dihydropyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile
SpectraBase Compound ID 2zcS3iZbykt
InChI InChI=1S/C26H12F6N8O2/c27-25(28,29)13-3-1-5-15(7-13)35-18-9-21-17(10-22(18)40(41)42)36-23-24(38-20(12-34)19(11-33)37-23)39(21)16-6-2-4-14(8-16)26(30,31)32/h1-10,35H,(H,36,37)
InChIKey SLMSHGQPRIPQEH-UHFFFAOYSA-N
Mol Weight 582.43 g/mol
Molecular Formula C26H12F6N8O2
Exact Mass 582.098741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cbcLDStmq
Name 8-Nitro-5-(3-(trifluoromethyl)phenyl)-7-((3-(trifluoromethyl)phenyl)amino)-5,10-dihydropyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile
Appearance Dark violet crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.098740634 u
Formula C26H12F6N8O2
InChI InChI=1S/C26H12F6N8O2/c27-25(28,29)13-3-1-5-15(7-13)35-18-9-21-17(10-22(18)40(41)42)36-23-24(38-20(12-34)19(11-33)37-23)39(21)16-6-2-4-14(8-16)26(30,31)32/h1-10,35H,(H,36,37)
InChIKey SLMSHGQPRIPQEH-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500230
Molecular Weight 582.426 g/mol
Quality 28
SMILES N(C=1C(=CC2=C(N(C3=C(N=C(C(=N3)C#N)C#N)N2)C2=CC(=CC=C2)C(F)(F)F)C1)[N+](=O)[O-])C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-001j-0100900000-a3e8da08eb637d8b4a5a
Source of Spectrum QE-21-SM15-17f (DOI: 10.1002/chem.201500230)
Wiley ID 1909097