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1-{4-[(4-Methoxyphenyl)ethynyl]benzoyl}piperidin-3-one

View entire compound with spectra: 1 NMR

1-{4-[(4-Methoxyphenyl)ethynyl]benzoyl}piperidin-3-one
SpectraBase Compound ID 615rBaYo7jh
InChI InChI=1S/C21H19NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13H,2-3,14-15H2,1H3
InChIKey PNVPJXNCXPBUKR-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XS0SBRxIql
Name 1-{4-[(4-Methoxyphenyl)ethynyl]benzoyl}piperidin-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.136493473 u
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13H,2-3,14-15H2,1H3
InChIKey PNVPJXNCXPBUKR-UHFFFAOYSA-N
Molecular Weight 333.387 g/mol
SMILES C1N(CCCC1=O)C(C1=CC=C(C=C1)C#CC1=CC=C(C=C1)OC)=O