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N-[2-(4-benzoyl-1-piperazinyl)phenyl]-3-methylbutanamide
SpectraBase Compound ID 7LlmrmpbziG
InChI InChI=1S/C22H27N3O2/c1-17(2)16-21(26)23-19-10-6-7-11-20(19)24-12-14-25(15-13-24)22(27)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKey PEZIEDMHARXJOB-UHFFFAOYSA-N
Mol Weight 365.48 g/mol
Molecular Formula C22H27N3O2
Exact Mass 365.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhVtmj6kn2y
Name N-[2-(4-Benzoyl-1-piperazinyl)phenyl]-3-methylbutanamide
Comments Computed using HOSE algorithm
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Exact Mass 365.210327119 u
Formula C22H27N3O2
InChI InChI=1S/C22H27N3O2/c1-17(2)16-21(26)23-19-10-6-7-11-20(19)24-12-14-25(15-13-24)22(27)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKey PEZIEDMHARXJOB-UHFFFAOYSA-N
Molecular Weight 365.477 g/mol
SMILES N(C1=C(N2CCN(C(=O)C3=CC=CC=C3)CC2)C=CC=C1)C(=O)CC(C)C