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1,4-bis(2,6-Dinitro-4-trifluoromethylphenylamino)benzene
SpectraBase Compound ID 1y8mcRCQUsh
InChI InChI=1S/C20H10F6N6O8/c21-19(22,23)9-5-13(29(33)34)17(14(6-9)30(35)36)27-11-1-2-12(4-3-11)28-18-15(31(37)38)7-10(20(24,25)26)8-16(18)32(39)40/h1-8,27-28H
InChIKey HMALUIJTEVLMQE-UHFFFAOYSA-N
Mol Weight 576.32 g/mol
Molecular Formula C20H10F6N6O8
Exact Mass 576.04643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BW02aZmIzlV
Name 1,4-bis(2,6-Dinitro-4-trifluoromethylphenylamino)benzene
Comments Computed using HOSE algorithm
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Exact Mass 576.046430276 u
Formula C20H10F6N6O8
InChI InChI=1S/C20H10F6N6O8/c21-19(22,23)9-5-13(29(33)34)17(14(6-9)30(35)36)27-11-1-2-12(4-3-11)28-18-15(31(37)38)7-10(20(24,25)26)8-16(18)32(39)40/h1-8,27-28H
InChIKey HMALUIJTEVLMQE-UHFFFAOYSA-N
Molecular Weight 576.324 g/mol
SMILES C1(=C(C(=CC(=C1)C(F)(F)F)N(=O)=O)NC1=CC=C(NC2=C(C=C(C(F)(F)F)C=C2N(=O)=O)N(=O)=O)C=C1)N(=O)=O