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1-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-3-(4-chloro-benzyloxy)-propan-2-ol hydrochloride
SpectraBase Compound ID 8QIFk8vq4FY
InChI InChI=1S/C22H27ClN2O4.Cl/c23-19-4-1-17(2-5-19)14-27-15-20(26)13-25-9-7-24(8-10-25)12-18-3-6-21-22(11-18)29-16-28-21;/h1-6,11,20,26H,7-10,12-16H2;
InChIKey UKCVXUISTLOFMJ-UHFFFAOYSA-N
Mol Weight 454.37 g/mol
Molecular Formula C22H27Cl2N2O4
Exact Mass 453.134788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfxftK2BFER
Name 1-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-3-(4-chloro-benzyloxy)-propan-2-ol hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28Cl2N2O4
InChI InChI=1S/C22H27ClN2O4.Cl/c23-19-4-1-17(2-5-19)14-27-15-20(26)13-25-9-7-24(8-10-25)12-18-3-6-21-22(11-18)29-16-28-21;/h1-6,11,20,26H,7-10,12-16H2;
InChIKey UKCVXUISTLOFMJ-UHFFFAOYSA-N
Molecular Weight 455.382 g/mol
SMILES Cl.OC(CN1CCN(Cc2cc3OCOc3cc2)CC1)COCc1ccc(cc1)Cl
SPLASH splash10-000i-9830000000-8f11f7d52b15be3549bd
Synonyms 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[(4-chlorobenzyl)oxy]-2-propanol hydrochloride
Wiley ID 1453374