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4-(Benzylamino)-1-[(3-chlorophenyl)methyl]pyrimidin-2-one

View entire compound with spectra: 2 NMR

4-(Benzylamino)-1-[(3-chlorophenyl)methyl]pyrimidin-2-one
SpectraBase Compound ID I43ybX57FWR
InChI InChI=1S/C18H16ClN3O/c19-16-8-4-7-15(11-16)13-22-10-9-17(21-18(22)23)20-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,20,21,23)
InChIKey HHLMOCFXKVHDNN-UHFFFAOYSA-N
Mol Weight 325.8 g/mol
Molecular Formula C18H16ClN3O
Exact Mass 325.09819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EI4KhSKX7ZX
Name 4-(Benzylamino)-1-[(3-chlorophenyl)methyl]pyrimidin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.098189846 u
Formula C18H16ClN3O
InChI InChI=1S/C18H16ClN3O/c19-16-8-4-7-15(11-16)13-22-10-9-17(21-18(22)23)20-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,20,21,23)
InChIKey HHLMOCFXKVHDNN-UHFFFAOYSA-N
Molecular Weight 325.799 g/mol
SMILES C1=CC=C(C=C1)CNC1=NC(N(C=C1)CC1=CC(=CC=C1)Cl)=O