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1-(1,3-Benzodioxol-5-ylmethyl)-4-([1,1'-biphenyl]-4-ylcarbonyl)piperazine

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1-(1,3-Benzodioxol-5-ylmethyl)-4-([1,1'-biphenyl]-4-ylcarbonyl)piperazine
SpectraBase Compound ID LVMQV7BhBGP
InChI InChI=1S/C25H24N2O3/c28-25(22-9-7-21(8-10-22)20-4-2-1-3-5-20)27-14-12-26(13-15-27)17-19-6-11-23-24(16-19)30-18-29-23/h1-11,16H,12-15,17-18H2
InChIKey HTEFRYKEOADWND-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C25H24N2O3
Exact Mass 400.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYVczzf25cT
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-([1,1'-biphenyl]-4-ylcarbonyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.178692638 u
Formula C25H24N2O3
InChI InChI=1S/C25H24N2O3/c28-25(22-9-7-21(8-10-22)20-4-2-1-3-5-20)27-14-12-26(13-15-27)17-19-6-11-23-24(16-19)30-18-29-23/h1-11,16H,12-15,17-18H2
InChIKey HTEFRYKEOADWND-UHFFFAOYSA-N
Molecular Weight 400.478 g/mol
SMILES C(N1CCN(CC1)CC1=CC=2OCOC2C=C1)(C1=CC=C(C=C1)C=1C=CC=CC1)=O