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2-{4-[4-(4-Chloro-2-methylphenoxy)butanoyl]-1-piperazinyl}pyrimidine

View entire compound with spectra: 2 NMR

2-{4-[4-(4-Chloro-2-methylphenoxy)butanoyl]-1-piperazinyl}pyrimidine
SpectraBase Compound ID 3b3vNu3cawN
InChI InChI=1S/C19H23ClN4O2/c1-15-14-16(20)5-6-17(15)26-13-2-4-18(25)23-9-11-24(12-10-23)19-21-7-3-8-22-19/h3,5-8,14H,2,4,9-13H2,1H3
InChIKey GHOQPMOBWTZUIB-UHFFFAOYSA-N
Mol Weight 374.87 g/mol
Molecular Formula C19H23ClN4O2
Exact Mass 374.150954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65ptQ16EEaw
Name 2-{4-[4-(4-Chloro-2-methylphenoxy)butanoyl]-1-piperazinyl}pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.150953695 u
Formula C19H23ClN4O2
InChI InChI=1S/C19H23ClN4O2/c1-15-14-16(20)5-6-17(15)26-13-2-4-18(25)23-9-11-24(12-10-23)19-21-7-3-8-22-19/h3,5-8,14H,2,4,9-13H2,1H3
InChIKey GHOQPMOBWTZUIB-UHFFFAOYSA-N
Molecular Weight 374.872 g/mol
SMILES C1(N2CCN(CC2)C(CCCOC=2C(=CC(=CC2)Cl)C)=O)=NC=CC=N1