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4,6-Dinitro-N1,N3 -bis(3-(trifluoromethyl)phenyl)benzene-1,3-diamine
SpectraBase Compound ID 3mVYYNmQcdw
InChI InChI=1S/C20H12F6N4O4/c21-19(22,23)11-3-1-5-13(7-11)27-15-9-16(18(30(33)34)10-17(15)29(31)32)28-14-6-2-4-12(8-14)20(24,25)26/h1-10,27-28H
InChIKey TYAFQKXGYWFUSS-UHFFFAOYSA-N
Mol Weight 486.33 g/mol
Molecular Formula C20H12F6N4O4
Exact Mass 486.076274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYHrJOVnZDB
Name 4,6-Dinitro-N1,N3 -bis(3-(trifluoromethyl)phenyl)benzene-1,3-diamine
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.076273856 u
Formula C20H12F6N4O4
InChI InChI=1S/C20H12F6N4O4/c21-19(22,23)11-3-1-5-13(7-11)27-15-9-16(18(30(33)34)10-17(15)29(31)32)28-14-6-2-4-12(8-14)20(24,25)26/h1-10,27-28H
InChIKey TYAFQKXGYWFUSS-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500230
Molecular Weight 486.330 g/mol
Quality 32
SMILES N(C=1C(=CC(=C(C1)NC1=CC=CC(=C1)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-000i-0002900000-e34628973a89eb2d0c07
Source of Spectrum QE-21-SM9-8f (DOI: 10.1002/chem.201500230)
Wiley ID 1909105