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2-{4-[4-(Cyclopentyloxy)benzoyl]-1-piperazinyl}pyrimidine

View entire compound with spectra: 2 NMR

2-{4-[4-(Cyclopentyloxy)benzoyl]-1-piperazinyl}pyrimidine
SpectraBase Compound ID 7OedvuI0Fe5
InChI InChI=1S/C20H24N4O2/c25-19(16-6-8-18(9-7-16)26-17-4-1-2-5-17)23-12-14-24(15-13-23)20-21-10-3-11-22-20/h3,6-11,17H,1-2,4-5,12-15H2
InChIKey ZVHKXNJQHDCREA-UHFFFAOYSA-N
Mol Weight 352.44 g/mol
Molecular Formula C20H24N4O2
Exact Mass 352.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdrEeVj3Irg
Name 2-{4-[4-(Cyclopentyloxy)benzoyl]-1-piperazinyl}pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 352.189926027 u
Formula C20H24N4O2
InChI InChI=1S/C20H24N4O2/c25-19(16-6-8-18(9-7-16)26-17-4-1-2-5-17)23-12-14-24(15-13-23)20-21-10-3-11-22-20/h3,6-11,17H,1-2,4-5,12-15H2
InChIKey ZVHKXNJQHDCREA-UHFFFAOYSA-N
Molecular Weight 352.438 g/mol
SMILES C1(N2CCN(C(C3=CC=C(OC4CCCC4)C=C3)=O)CC2)=NC=CC=N1