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5-TOET N-(4-bromobenzyl)
SpectraBase Compound ID 2WUNpzDn5J3
InChI InChI=1S/C20H26BrNOS/c1-5-16-11-19(23-3)17(12-20(16)24-4)10-14(2)22-13-15-6-8-18(21)9-7-15/h6-9,11-12,14,22H,5,10,13H2,1-4H3
InChIKey XSIQOHVYQILROJ-UHFFFAOYSA-N
Mol Weight 408.4 g/mol
Molecular Formula C20H26BrNOS
Exact Mass 407.091849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WiArspgSg4
Name 5-TOET N-(4-bromobenzyl)
Classification Amphetamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 407.091848634 u
Formula C20H26BrNOS
InChI InChI=1S/C20H26BrNOS/c1-5-16-11-19(23-3)17(12-20(16)24-4)10-14(2)22-13-15-6-8-18(21)9-7-15/h6-9,11-12,14,22H,5,10,13H2,1-4H3
InChIKey XSIQOHVYQILROJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 408.398 g/mol
Nominal Mass 407 u
Quality 989
Retention Index 2753
SMILES C=1(C(=CC(=C(C1)SC)CC)OC)CC(NCC=1C=CC(=CC1)Br)C
SPLASH splash10-03di-0960000000-e197076b48443711e799
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-4-Bromobenzyl-1-[4-ethyl-2-methoxy-5-methylthiophenyl]propan-2-amine
Technique GC/MS
Wiley ID DD2024_021277