1-[3-(o-Chlorobenzhydryloxy)propyl]-4-(m-methylbenzyl)piperazine, dihydrochloride

SpectraBase Compound ID	G2zdJEX532Y
InChI	InChI=1S/C28H33ClN2O.2ClH/c1-23-9-7-10-24(21-23)22-31-18-16-30(17-19-31)15-8-20-32-28(25-11-3-2-4-12-25)26-13-5-6-14-27(26)29;;/h2-7,9-14,21,28H,8,15-20,22H2,1H3;2*1H
InChIKey	LAUKVBRJSWODAW-UHFFFAOYSA-N Google Search
Mol Weight	521.96 g/mol
Molecular Formula	C28H35Cl3N2O
Exact Mass	520.181497 g/mol

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SpectraBase Spectrum ID	AtI3afRaCyb
Name	1-[3-(o-Chlorobenzhydryloxy)propyl]-4-(m-methylbenzyl)piperazine, dihydrochloride
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	520.181496854 u
Formula	C28H35Cl3N2O
InChI	InChI=1S/C28H33ClN2O.2ClH/c1-23-9-7-10-24(21-23)22-31-18-16-30(17-19-31)15-8-20-32-28(25-11-3-2-4-12-25)26-13-5-6-14-27(26)29;;/h2-7,9-14,21,28H,8,15-20,22H2,1H3;2*1H
InChIKey	LAUKVBRJSWODAW-UHFFFAOYSA-N
Molecular Weight	521.960 g/mol
SMILES	Cl.C(CCOC(C=1C=CC=CC1)C=1C(=CC=CC1)Cl)N1CCN(CC1)CC=1C=CC=C(C1)C.Cl
Spectrum/Structure Validation Score (Raman)	0.924402