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N1,N2-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
SpectraBase Compound ID FMbewrVLSPR
InChI InChI=1S/C20H10F6N6O8/c21-19(22,23)9-5-13(29(33)34)17(14(6-9)30(35)36)27-11-3-1-2-4-12(11)28-18-15(31(37)38)7-10(20(24,25)26)8-16(18)32(39)40/h1-8,27-28H
InChIKey CGFGLAQDAVQTKJ-UHFFFAOYSA-N
Mol Weight 576.32 g/mol
Molecular Formula C20H10F6N6O8
Exact Mass 576.04643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmpZZlKx2Uv
Name N1,N2-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10F6N6O8
InChI InChI=1S/C20H10F6N6O8/c21-19(22,23)9-5-13(29(33)34)17(14(6-9)30(35)36)27-11-3-1-2-4-12(11)28-18-15(31(37)38)7-10(20(24,25)26)8-16(18)32(39)40/h1-8,27-28H
InChIKey CGFGLAQDAVQTKJ-UHFFFAOYSA-N
Instrument Name VG Analytical 70-250 MS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19970131)11_2_201
Molecular Weight 576.324 g/mol
Reported Formula C20H10N6O8F6
SMILES N(c1ccccc1Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+]([O-])=O)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+]([O-])=O
SPLASH splash10-0059-5697450000-0887276cb44f0747355c
Source of Spectrum RCM-11-202-Fig 1
Wiley ID 1836131