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5-(4-Methylphenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-A]pyrimidine

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5-(4-Methylphenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-A]pyrimidine
SpectraBase Compound ID 91JOltnFnMi
InChI InChI=1S/C18H16N4/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)22-18(21-16)19-12-20-22/h2-12,17H,1H3,(H,19,20,21)
InChIKey OZJZEAJMAKJHAP-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C18H16N4
Exact Mass 288.137497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBPSTf4RFxT
Name 5-(4-Methylphenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-A]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.137496531 u
Formula C18H16N4
InChI InChI=1S/C18H16N4/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)22-18(21-16)19-12-20-22/h2-12,17H,1H3,(H,19,20,21)
InChIKey OZJZEAJMAKJHAP-UHFFFAOYSA-N
Molecular Weight 288.354 g/mol
SMILES N1C(=CC(N2C1=NC=N2)C1=CC=CC=C1)C1=CC=C(C=C1)C