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2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide

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2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
SpectraBase Compound ID 43aWEKDC2Zt
InChI InChI=1S/C23H31N3O3/c1-29-21-9-7-19(8-10-21)17-24-23(28)22(11-16-27)26-14-12-25(13-15-26)18-20-5-3-2-4-6-20/h2-10,22,27H,11-18H2,1H3,(H,24,28)
InChIKey WSHKLZZZFIIUPE-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C23H31N3O3
Exact Mass 397.236542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gvx9IVkXD9b
Name 2-(4-Benzylpiperazin-1-yl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.236541867 u
Formula C23H31N3O3
InChI InChI=1S/C23H31N3O3/c1-29-21-9-7-19(8-10-21)17-24-23(28)22(11-16-27)26-14-12-25(13-15-26)18-20-5-3-2-4-6-20/h2-10,22,27H,11-18H2,1H3,(H,24,28)
InChIKey WSHKLZZZFIIUPE-UHFFFAOYSA-N
Molecular Weight 397.519 g/mol
SMILES C=1(CNC(C(N2CCN(CC2)CC2=CC=CC=C2)CCO)=O)C=CC(=CC1)OC