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3,4,5-trimethoxy-N-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]benzamide
SpectraBase Compound ID 4PoG4uswLwd
InChI InChI=1S/C22H23F3N2O5/c1-12-15(16-11-14(32-22(23,24)25)5-6-17(16)27-12)7-8-26-21(28)13-9-18(29-2)20(31-4)19(10-13)30-3/h5-6,9-11,27H,7-8H2,1-4H3,(H,26,28)
InChIKey YDRZYQMRGLCYBG-UHFFFAOYSA-N
Mol Weight 452.43 g/mol
Molecular Formula C22H23F3N2O5
Exact Mass 452.155906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EilZD4GNXLN
Name 3,4,5-Trimethoxy-N-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 452.155906333 u
Formula C22H23F3N2O5
InChI InChI=1S/C22H23F3N2O5/c1-12-15(16-11-14(32-22(23,24)25)5-6-17(16)27-12)7-8-26-21(28)13-9-18(29-2)20(31-4)19(10-13)30-3/h5-6,9-11,27H,7-8H2,1-4H3,(H,26,28)
InChIKey YDRZYQMRGLCYBG-UHFFFAOYSA-N
Molecular Weight 452.430 g/mol
SMILES COC=1C(OC)=C(C=C(C(NCCC2=C(NC=3C2=CC(OC(F)(F)F)=CC3)C)=O)C1)OC