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2-Pyrimidinamine, 6-(4-nitrophenyl)-1,4-dihydro-4-phenyl-

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

2-Pyrimidinamine, 6-(4-nitrophenyl)-1,4-dihydro-4-phenyl-
SpectraBase Compound ID BB5vCO66LwO
InChI InChI=1S/C16H14N4O2/c17-16-18-14(11-4-2-1-3-5-11)10-15(19-16)12-6-8-13(9-7-12)20(21)22/h1-10,14H,(H3,17,18,19)
InChIKey ILDQNXCAAUQWRM-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C16H14N4O2
Exact Mass 294.111676 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ksdEYXaTUY
Name 2-Pyrimidinamine, 6-(4-nitrophenyl)-1,4-dihydro-4-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.111675705 u
Formula C16H14N4O2
InChI InChI=1S/C16H14N4O2/c17-16-18-14(11-4-2-1-3-5-11)10-15(19-16)12-6-8-13(9-7-12)20(21)22/h1-10,14H,(H3,17,18,19)
InChIKey ILDQNXCAAUQWRM-UHFFFAOYSA-N
SMILES C1(=NC(C=C(N1)C1=CC=C(N(=O)=O)C=C1)C1=CC=CC=C1)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853951