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3-Methoxy-N-(2-methoxy-5-trifluoromethyl-phenyl)-4-(2-nitro-4-trifluoromethyl-phenoxy)-benzamide
SpectraBase Compound ID Dzr7fQsFC5w
InChI InChI=1S/C23H16F6N2O6/c1-35-17-7-4-13(22(24,25)26)10-15(17)30-21(32)12-3-6-19(20(9-12)36-2)37-18-8-5-14(23(27,28)29)11-16(18)31(33)34/h3-11H,1-2H3,(H,30,32)
InChIKey XGXGOMSTKGDEBK-UHFFFAOYSA-N
Mol Weight 530.38 g/mol
Molecular Formula C23H16F6N2O6
Exact Mass 530.091255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQLEyGt9MWl
Name 3-Methoxy-N-(2-methoxy-5-trifluoromethyl-phenyl)-4-(2-nitro-4-trifluoromethyl-phenoxy)-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 530.091255215 u
Formula C23H16F6N2O6
InChI InChI=1S/C23H16F6N2O6/c1-35-17-7-4-13(22(24,25)26)10-15(17)30-21(32)12-3-6-19(20(9-12)36-2)37-18-8-5-14(23(27,28)29)11-16(18)31(33)34/h3-11H,1-2H3,(H,30,32)
InChIKey XGXGOMSTKGDEBK-UHFFFAOYSA-N
Molecular Weight 530.379 g/mol
SMILES C1(N(=O)=O)=C(OC=2C(=CC(C(NC=3C=C(C(F)(F)F)C=CC3OC)=O)=CC2)OC)C=CC(C(F)(F)F)=C1