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N-[7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-(2-naphthyloxy)acetamide

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N-[7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-(2-naphthyloxy)acetamide
SpectraBase Compound ID FJf3Rd14uts
InChI InChI=1S/C23H18ClN5O3/c24-17-8-5-15(6-9-17)19-12-20(30)26-23-27-22(28-29(19)23)25-21(31)13-32-18-10-7-14-3-1-2-4-16(14)11-18/h1-11,19H,12-13H2,(H2,25,26,27,28,30,31)
InChIKey PNJWWBWVCCZMOF-UHFFFAOYSA-N
Mol Weight 447.88 g/mol
Molecular Formula C23H18ClN5O3
Exact Mass 447.109817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLrtLpY8icl
Name N-[7-(4-Chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-A]pyrimidin-2-yl]-2-(2-naphthyloxy)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.109817157 u
Formula C23H18ClN5O3
InChI InChI=1S/C23H18ClN5O3/c24-17-8-5-15(6-9-17)19-12-20(30)26-23-27-22(28-29(19)23)25-21(31)13-32-18-10-7-14-3-1-2-4-16(14)11-18/h1-11,19H,12-13H2,(H2,25,26,27,28,30,31)
InChIKey PNJWWBWVCCZMOF-UHFFFAOYSA-N
Molecular Weight 447.882 g/mol
SMILES N(C1=NN2C(=N1)NC(CC2C1=CC=C(C=C1)Cl)=O)C(=O)COC1=CC2=CC=CC=C2C=C1