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

SpectraBase Compound ID	8ylcxK45dNX
InChI	InChI=1S/C28H31FN2O/c1-3-27(22-8-5-4-6-9-22)30-18-16-25(17-19-30)31(26-11-7-10-24(29)20-26)28(32)23-14-12-21(2)13-15-23/h4-15,20,25,27H,3,16-19H2,1-2H3
InChIKey	SEXGKCLYACUWPN-UHFFFAOYSA-N Google Search
Mol Weight	430.57 g/mol
Molecular Formula	C28H31FN2O
Exact Mass	430.242042 g/mol

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SpectraBase Spectrum ID	9h21BshHK46
Name	N-3-Fluorophenyl-N-[1-(1-phenylpropyl)piperidin-4-yl]-4-methylbenzamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	430.242041788 u
Formula	C28H31FN2O
InChI	InChI=1S/C28H31FN2O/c1-3-27(22-8-5-4-6-9-22)30-18-16-25(17-19-30)31(26-11-7-10-24(29)20-26)28(32)23-14-12-21(2)13-15-23/h4-15,20,25,27H,3,16-19H2,1-2H3
InChIKey	SEXGKCLYACUWPN-UHFFFAOYSA-N
Molecular Weight	430.567 g/mol
SMILES	C1(N(C(C2=CC=C(C=C2)C)=O)C=2C=C(C=CC2)F)CCN(C(C=2C=CC=CC2)CC)CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.871659