2-[4-(4-p-Tolyl-piperazin-1-yl)-butyl]-isoindole-1,3-dione

SpectraBase Compound ID	LhTISAqruXG
InChI	InChI=1S/C23H27N3O2/c1-18-8-10-19(11-9-18)25-16-14-24(15-17-25)12-4-5-13-26-22(27)20-6-2-3-7-21(20)23(26)28/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey	RURBVIVWUVIBTL-UHFFFAOYSA-N Google Search
Mol Weight	377.49 g/mol
Molecular Formula	C23H27N3O2
Exact Mass	377.210327 g/mol

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SpectraBase Spectrum ID	4SohmAZvZcx
Name	2-[4-(4-p-Tolyl-piperazin-1-yl)-butyl]-isoindole-1,3-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	377.210327119 u
Formula	C23H27N3O2
InChI	InChI=1S/C23H27N3O2/c1-18-8-10-19(11-9-18)25-16-14-24(15-17-25)12-4-5-13-26-22(27)20-6-2-3-7-21(20)23(26)28/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey	RURBVIVWUVIBTL-UHFFFAOYSA-N
Molecular Weight	377.488 g/mol
SMILES	C(CN1CCN(CC1)C1=CC=C(C=C1)C)CCN1C(C2=C(C1=O)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.810579