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N-(2-Morpholin-4-yl-5-trifluoromethyl-phenyl)-nicotinamide

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

N-(2-Morpholin-4-yl-5-trifluoromethyl-phenyl)-nicotinamide
SpectraBase Compound ID AiLQEVs0uOZ
InChI InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-4-15(23-6-8-25-9-7-23)14(10-13)22-16(24)12-2-1-5-21-11-12/h1-5,10-11H,6-9H2,(H,22,24)
InChIKey UMNCZEFAKQXEOI-UHFFFAOYSA-N
Mol Weight 351.33 g/mol
Molecular Formula C17H16F3N3O2
Exact Mass 351.119461 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KY7ilaVawIl
Name N-(2-Morpholin-4-yl-5-trifluoromethyl-phenyl)-nicotinamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.119461254 u
Formula C17H16F3N3O2
InChI InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-4-15(23-6-8-25-9-7-23)14(10-13)22-16(24)12-2-1-5-21-11-12/h1-5,10-11H,6-9H2,(H,22,24)
InChIKey UMNCZEFAKQXEOI-UHFFFAOYSA-N
Molecular Weight 351.329 g/mol
SMILES C1(NC(C=2C=NC=CC2)=O)=C(N2CCOCC2)C=CC(=C1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902232