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N,N-Dibenzyl-2,5-dimethoxy-4-isobutylthiophenethylamine
SpectraBase Compound ID qCGxBpJ442
InChI InChI=1S/C28H35NO2S/c1-22(2)21-32-28-18-26(30-3)25(17-27(28)31-4)15-16-29(19-23-11-7-5-8-12-23)20-24-13-9-6-10-14-24/h5-14,17-18,22H,15-16,19-21H2,1-4H3
InChIKey ZTBIBOBVGCZPNJ-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C28H35NO2S
Exact Mass 449.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVOggQlHlq4
Name N,N-Dibenzyl-2,5-dimethoxy-4-isobutylthiophenethylamine
Classification Phenethylamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 449.238850543 u
Formula C28H35NO2S
InChI InChI=1S/C28H35NO2S/c1-22(2)21-32-28-18-26(30-3)25(17-27(28)31-4)15-16-29(19-23-11-7-5-8-12-23)20-24-13-9-6-10-14-24/h5-14,17-18,22H,15-16,19-21H2,1-4H3
InChIKey ZTBIBOBVGCZPNJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 449.653 g/mol
Nominal Mass 449 u
Quality 663
Retention Index 3250
SMILES C=1(C(=CC(=C(C1)OC)SCC(C)C)OC)CCN(CC1=CC=CC=C1)CC=1C=CC=CC1
SPLASH splash10-03dl-9480000000-595a611c58ff49328474
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Dibenzyl-2-(2,5-dimethoxy-4-((2-methylpropyl)thio)phenyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_020220