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1-(3-Iodobenzyl)-4-(3,4-methylenedioxybenzyl)piperazine
SpectraBase Compound ID J0LO2RG8ZBK
InChI InChI=1S/C19H21IN2O2/c20-17-3-1-2-15(10-17)12-21-6-8-22(9-7-21)13-16-4-5-18-19(11-16)24-14-23-18/h1-5,10-11H,6-9,12-14H2
InChIKey NYYIIIBNWKPKPU-UHFFFAOYSA-N
Mol Weight 436.29 g/mol
Molecular Formula C19H21IN2O2
Exact Mass 436.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2m1uFSKnp9E
Name 1-(3-Iodobenzyl)-4-(3,4-methylenedioxybenzyl)piperazine
Classification Piperazine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 436.064772922 u
Formula C19H21IN2O2
InChI InChI=1S/C19H21IN2O2/c20-17-3-1-2-15(10-17)12-21-6-8-22(9-7-21)13-16-4-5-18-19(11-16)24-14-23-18/h1-5,10-11H,6-9,12-14H2
InChIKey NYYIIIBNWKPKPU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 436.293 g/mol
Nominal Mass 436 u
Quality 962
Retention Index 2977
SMILES C=12C(=CC(CN3CCN(CC=4C=C(C=CC4)I)CC3)=CC1)OCO2
SPLASH splash10-0i09-6952000000-e24f19e001721c924da8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Piperazine,1-(3-iodobenzyl)-4-(3,4-methylenedioxybenzyl) 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-iodobenzyl)piperazine
Technique GC/MS
Wiley ID DD2024_011266