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2-Ethoxy-6-[({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)methyl]phenol
SpectraBase Compound ID BJvYL7L5aHM
InChI InChI=1S/C21H23F3N2O3/c1-3-28-19-6-4-5-14(20(19)27)12-25-10-9-16-13(2)26-18-8-7-15(11-17(16)18)29-21(22,23)24/h4-8,11,25-27H,3,9-10,12H2,1-2H3
InChIKey WFCHEVYYVMSHAF-UHFFFAOYSA-N
Mol Weight 408.42 g/mol
Molecular Formula C21H23F3N2O3
Exact Mass 408.166077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Y8Ig59q1Fr
Name 2-Ethoxy-6-[({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)methyl]phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.166077095 u
Formula C21H23F3N2O3
InChI InChI=1S/C21H23F3N2O3/c1-3-28-19-6-4-5-14(20(19)27)12-25-10-9-16-13(2)26-18-8-7-15(11-17(16)18)29-21(22,23)24/h4-8,11,25-27H,3,9-10,12H2,1-2H3
InChIKey WFCHEVYYVMSHAF-UHFFFAOYSA-N
Molecular Weight 408.421 g/mol
SMILES CCOC1=C(C(CNCCC2=C(NC3=C2C=C(OC(F)(F)F)C=C3)C)=CC=C1)O