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N1,N3-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,3-diamine
SpectraBase Compound ID Hpd5JKEQKn1
InChI InChI=1S/C20H10F6N6O8/c21-19(22,23)9-4-13(29(33)34)17(14(5-9)30(35)36)27-11-2-1-3-12(8-11)28-18-15(31(37)38)6-10(20(24,25)26)7-16(18)32(39)40/h1-8,27-28H
InChIKey ZSHAZTUTZYYIBW-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 HBu69KGA8r6
Name N1,N3-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,3-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10F6N6O8
InChI InChI=1S/C20H10F6N6O8/c21-19(22,23)9-4-13(29(33)34)17(14(5-9)30(35)36)27-11-2-1-3-12(8-11)28-18-15(31(37)38)6-10(20(24,25)26)7-16(18)32(39)40/h1-8,27-28H
InChIKey ZSHAZTUTZYYIBW-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
SMILES N(c1cc(ccc1)Nc1c(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 splash10-004i-3493550000-c931ad9e9dbeb1573cf0
Source of Spectrum RCM-11-202-Fig 2
Wiley ID 1836132