N-4-Methylphenyl-N-[1-(1-phenylpropyl)piperidin-4-yl]hexanamide

SpectraBase Compound ID	Ip6ZbAVHtDZ
InChI	InChI=1S/C27H38N2O/c1-4-6-8-13-27(30)29(24-16-14-22(3)15-17-24)25-18-20-28(21-19-25)26(5-2)23-11-9-7-10-12-23/h7,9-12,14-17,25-26H,4-6,8,13,18-21H2,1-3H3
InChIKey	TXBZQPQCDXPIEU-UHFFFAOYSA-N Google Search
Mol Weight	406.6 g/mol
Molecular Formula	C27H38N2O
Exact Mass	406.298414 g/mol

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SpectraBase Spectrum ID	91D4ruroe7f
Name	N-4-Methylphenyl-N-[1-(1-phenylpropyl)piperidin-4-yl]hexanamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	406.298413851 u
Formula	C27H38N2O
InChI	InChI=1S/C27H38N2O/c1-4-6-8-13-27(30)29(24-16-14-22(3)15-17-24)25-18-20-28(21-19-25)26(5-2)23-11-9-7-10-12-23/h7,9-12,14-17,25-26H,4-6,8,13,18-21H2,1-3H3
InChIKey	TXBZQPQCDXPIEU-UHFFFAOYSA-N
Molecular Weight	406.614 g/mol
SMILES	C1(N(C=2C=CC(=CC2)C)C(CCCCC)=O)CCN(C(C=2C=CC=CC2)CC)CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.94664