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N-(3-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
SpectraBase Compound ID NcvAwRTEnd
InChI InChI=1S/C25H34N2O/c1-3-4-13-25(28)27(24-12-8-9-21(2)20-24)23-15-18-26(19-16-23)17-14-22-10-6-5-7-11-22/h5-12,20,23H,3-4,13-19H2,1-2H3
InChIKey XRXGMNPGYREDBS-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C25H34N2O
Exact Mass 378.267114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78FJG7BUrNy
Name N-(3-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.267113722 u
Formula C25H34N2O
InChI InChI=1S/C25H34N2O/c1-3-4-13-25(28)27(24-12-8-9-21(2)20-24)23-15-18-26(19-16-23)17-14-22-10-6-5-7-11-22/h5-12,20,23H,3-4,13-19H2,1-2H3
InChIKey XRXGMNPGYREDBS-UHFFFAOYSA-N
Molecular Weight 378.560 g/mol
SMILES C1(N(C2=CC(=CC=C2)C)C(CCCC)=O)CCN(CC1)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854729