1-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione

SpectraBase Compound ID	Go9D107iLkc
InChI	InChI=1S/C20H21FN2O2/c21-18-9-7-16(8-10-18)15-22-11-4-12-23(14-13-22)20(25)19(24)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2
InChIKey	SQSZCJVPUZUDTM-UHFFFAOYSA-N Google Search
Mol Weight	340.4 g/mol
Molecular Formula	C20H21FN2O2
Exact Mass	340.158706 g/mol

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SpectraBase Spectrum ID	CCXTqoxrfsM
Name	1-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	340.158706085 u
Formula	C20H21FN2O2
InChI	InChI=1S/C20H21FN2O2/c21-18-9-7-16(8-10-18)15-22-11-4-12-23(14-13-22)20(25)19(24)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2
InChIKey	SQSZCJVPUZUDTM-UHFFFAOYSA-N
Molecular Weight	340.398 g/mol
SMILES	C(C(=O)C1=CC=CC=C1)(=O)N1CCN(CCC1)CC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.926442