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Benzyl 4-[4-(4-tert-butylbenzoyl)-1-piperazinyl]phenyl ether
SpectraBase Compound ID InKSTE5Nygr
InChI InChI=1S/C28H32N2O2/c1-28(2,3)24-11-9-23(10-12-24)27(31)30-19-17-29(18-20-30)25-13-15-26(16-14-25)32-21-22-7-5-4-6-8-22/h4-16H,17-21H2,1-3H3
InChIKey HBZSLHPDDXGNRA-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C28H32N2O2
Exact Mass 428.246378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXsdMfrt7vh
Name Benzyl 4-[4-(4-tert-butylbenzoyl)-1-piperazinyl]phenyl ether
Comments Computed using HOSE algorithm
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Exact Mass 428.246378276 u
Formula C28H32N2O2
InChI InChI=1S/C28H32N2O2/c1-28(2,3)24-11-9-23(10-12-24)27(31)30-19-17-29(18-20-30)25-13-15-26(16-14-25)32-21-22-7-5-4-6-8-22/h4-16H,17-21H2,1-3H3
InChIKey HBZSLHPDDXGNRA-UHFFFAOYSA-N
Molecular Weight 428.576 g/mol
SMILES C(N1CCN(CC1)C1=CC=C(OCC2=CC=CC=C2)C=C1)(C=1C=CC(C(C)(C)C)=CC1)=O