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5-([(4-fluorophenyl)amino]methyl)-2-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 FTIR

5-([(4-fluorophenyl)amino]methyl)-2-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-one
SpectraBase Compound ID 8bU8YE6MzB4
InChI InChI=1S/C16H14F2N4O/c17-12-3-1-11(2-4-12)10-22-16(23)20-15(21-22)9-19-14-7-5-13(18)6-8-14/h1-8,19H,9-10H2,(H,20,21,23)
InChIKey LSNGMYQAGLGNLE-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H14F2N4O
Exact Mass 316.113567 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7DT9KtycLc0
Name 5-([(4-fluorophenyl)amino]methyl)-2-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.113567412 u
Formula C16H14F2N4O
InChI InChI=1S/C16H14F2N4O/c17-12-3-1-11(2-4-12)10-22-16(23)20-15(21-22)9-19-14-7-5-13(18)6-8-14/h1-8,19H,9-10H2,(H,20,21,23)
InChIKey LSNGMYQAGLGNLE-UHFFFAOYSA-N
Molecular Weight 316.312 g/mol
SMILES C1=C(C=CC(=C1)CN1NC(=NC1=O)CNC1=CC=C(C=C1)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810948