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3-(1-Benzyl-1H-indol-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(1-Benzyl-1H-indol-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SpectraBase Compound ID 2Qw36ALvAG
InChI InChI=1S/C21H18F3N5O/c22-21(23,24)19-26-20(28-27-19)25-18(30)11-10-15-13-29(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10-12H2,(H2,25,26,27,28,30)
InChIKey SSRBMFHIEGZLHP-UHFFFAOYSA-N
Mol Weight 413.4 g/mol
Molecular Formula C21H18F3N5O
Exact Mass 413.146345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fuuHk17CDF
Name 3-(1-Benzyl-1H-indol-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.146344708 u
Formula C21H18F3N5O
InChI InChI=1S/C21H18F3N5O/c22-21(23,24)19-26-20(28-27-19)25-18(30)11-10-15-13-29(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10-12H2,(H2,25,26,27,28,30)
InChIKey SSRBMFHIEGZLHP-UHFFFAOYSA-N
Molecular Weight 413.404 g/mol
SMILES C1(=NC(NC(=O)CCC2=CN(CC=3C=CC=CC3)C3=C2C=CC=C3)=NN1)C(F)(F)F