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p-(Dimethylamino)benzoic acid, 2-(2,6-dinitro-A,A,A-trifluoro-p-tolyl)hdrazide
SpectraBase Compound ID 5YqXiswhfNI
InChI InChI=1S/C16H14F3N5O5/c1-22(2)11-5-3-9(4-6-11)15(25)21-20-14-12(23(26)27)7-10(16(17,18)19)8-13(14)24(28)29/h3-8,20H,1-2H3,(H,21,25)
InChIKey AFDPMPLJUANICM-UHFFFAOYSA-N
Mol Weight 413.31 g/mol
Molecular Formula C16H14F3N5O5
Exact Mass 413.094703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E04ebslzW7G
Name p-(Dimethylamino)benzoic acid, 2-(2,6-dinitro-A,A,A-trifluoro-p-tolyl)hdrazide
Comments Computed using HOSE algorithm
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Exact Mass 413.094703055 u
Formula C16H14F3N5O5
InChI InChI=1S/C16H14F3N5O5/c1-22(2)11-5-3-9(4-6-11)15(25)21-20-14-12(23(26)27)7-10(16(17,18)19)8-13(14)24(28)29/h3-8,20H,1-2H3,(H,21,25)
InChIKey AFDPMPLJUANICM-UHFFFAOYSA-N
Molecular Weight 413.313 g/mol
SMILES N(C(C=1C=CC(=CC1)N(C)C)=O)NC=1C(=CC(=CC1N(=O)=O)C(F)(F)F)N(=O)=O