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N-[1,1,1,3,3,3-hexafluoro-2-[2-(1H-indol-3-yl)ethylamino]propan-2-yl]benzamide
SpectraBase Compound ID 1lpu3Dfmebq
InChI InChI=1S/C20H17F6N3O/c21-19(22,23)18(20(24,25)26,29-17(30)13-6-2-1-3-7-13)28-11-10-14-12-27-16-9-5-4-8-15(14)16/h1-9,12,27-28H,10-11H2,(H,29,30)
InChIKey RHRNTQVDHHXMDD-UHFFFAOYSA-N
Mol Weight 429.37 g/mol
Molecular Formula C20H17F6N3O
Exact Mass 429.127581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMGVyoxJWJr
Name N-[1,1,1,3,3,3-Hexafluoro-2-[2-(1H-indol-3-yl)ethylamino]propan-2-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.127581156 u
Formula C20H17F6N3O
InChI InChI=1S/C20H17F6N3O/c21-19(22,23)18(20(24,25)26,29-17(30)13-6-2-1-3-7-13)28-11-10-14-12-27-16-9-5-4-8-15(14)16/h1-9,12,27-28H,10-11H2,(H,29,30)
InChIKey RHRNTQVDHHXMDD-UHFFFAOYSA-N
Molecular Weight 429.366 g/mol
SMILES C(NC(=O)C=1C=CC=CC1)(C(F)(F)F)(C(F)(F)F)NCCC1=CNC=2C1=CC=CC2