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3-butoxy-N-[4-(4-isobutyryl-1-piperazinyl)phenyl]benzamide

View entire compound with spectra: 2 NMR

3-butoxy-N-[4-(4-isobutyryl-1-piperazinyl)phenyl]benzamide
SpectraBase Compound ID IPy5MPUSrfR
InChI InChI=1S/C25H33N3O3/c1-4-5-17-31-23-8-6-7-20(18-23)24(29)26-21-9-11-22(12-10-21)27-13-15-28(16-14-27)25(30)19(2)3/h6-12,18-19H,4-5,13-17H2,1-3H3,(H,26,29)
InChIKey KHJHYFRCYAPBED-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C25H33N3O3
Exact Mass 423.252192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10UYbXkcrku
Name 3-Butoxy-N-[4-(4-isobutyryl-1-piperazinyl)phenyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.252191932 u
Formula C25H33N3O3
InChI InChI=1S/C25H33N3O3/c1-4-5-17-31-23-8-6-7-20(18-23)24(29)26-21-9-11-22(12-10-21)27-13-15-28(16-14-27)25(30)19(2)3/h6-12,18-19H,4-5,13-17H2,1-3H3,(H,26,29)
InChIKey KHJHYFRCYAPBED-UHFFFAOYSA-N
Molecular Weight 423.557 g/mol
SMILES N(C(C=1C=C(OCCCC)C=CC1)=O)C=1C=CC(N2CCN(C(=O)C(C)C)CC2)=CC1