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Benzamide, 3-(4-trifluoromethyl)-2-nitrophenoxy-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl)-

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Benzamide, 3-(4-trifluoromethyl)-2-nitrophenoxy-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl)-
SpectraBase Compound ID HhMVXUAbRih
InChI InChI=1S/C22H13F7N2O5/c23-20(24)22(28,29)36-15-7-5-14(6-8-15)30-19(32)12-2-1-3-16(10-12)35-18-9-4-13(21(25,26)27)11-17(18)31(33)34/h1-11,20H,(H,30,32)
InChIKey XMNXOURFVBQXHU-UHFFFAOYSA-N
Mol Weight 518.34 g/mol
Molecular Formula C22H13F7N2O5
Exact Mass 518.071269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLNdWwBpI4t
Name Benzamide, 3-(4-trifluoromethyl)-2-nitrophenoxy-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 518.071268663 u
Formula C22H13F7N2O5
InChI InChI=1S/C22H13F7N2O5/c23-20(24)22(28,29)36-15-7-5-14(6-8-15)30-19(32)12-2-1-3-16(10-12)35-18-9-4-13(21(25,26)27)11-17(18)31(33)34/h1-11,20H,(H,30,32)
InChIKey XMNXOURFVBQXHU-UHFFFAOYSA-N
Molecular Weight 518.344 g/mol
SMILES C1(N(=O)=O)=CC(C(F)(F)F)=CC=C1OC=1C=CC=C(C(NC=2C=CC(OC(C(F)F)(F)F)=CC2)=O)C1