N-4-Chlorophenyl-N-[1-(1-phenylpropyl)piperidin-4-yl]-3-methylbenzamide

SpectraBase Compound ID	Banj401ReVZ
InChI	InChI=1S/C28H31ClN2O/c1-3-27(22-9-5-4-6-10-22)30-18-16-26(17-19-30)31(25-14-12-24(29)13-15-25)28(32)23-11-7-8-21(2)20-23/h4-15,20,26-27H,3,16-19H2,1-2H3
InChIKey	UROBEQLTOBJUAT-UHFFFAOYSA-N Google Search
Mol Weight	447.02 g/mol
Molecular Formula	C28H31ClN2O
Exact Mass	446.212491 g/mol

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SpectraBase Spectrum ID	4L14qhY6EXd
Name	N-4-Chlorophenyl-N-[1-(1-phenylpropyl)piperidin-4-yl]-3-methylbenzamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	446.212491325 u
Formula	C28H31ClN2O
InChI	InChI=1S/C28H31ClN2O/c1-3-27(22-9-5-4-6-10-22)30-18-16-26(17-19-30)31(25-14-12-24(29)13-15-25)28(32)23-11-7-8-21(2)20-23/h4-15,20,26-27H,3,16-19H2,1-2H3
InChIKey	UROBEQLTOBJUAT-UHFFFAOYSA-N
Molecular Weight	447.022 g/mol
SMILES	C1(N(C(C2=CC(=CC=C2)C)=O)C=2C=CC(=CC2)Cl)CCN(C(C=2C=CC=CC2)CC)CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.848534