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5-TOET N,N-bis(4-bromobenzyl)
SpectraBase Compound ID IKJLjT5rach
InChI InChI=1S/C27H31Br2NOS/c1-5-22-15-26(31-3)23(16-27(22)32-4)14-19(2)30(17-20-6-10-24(28)11-7-20)18-21-8-12-25(29)13-9-21/h6-13,15-16,19H,5,14,17-18H2,1-4H3
InChIKey VVIBUSHBYRKBCF-UHFFFAOYSA-N
Mol Weight 577.42 g/mol
Molecular Formula C27H31Br2NOS
Exact Mass 575.049312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nf0L0Gawb2
Name 5-TOET N,N-bis(4-bromobenzyl)
Classification Amphetamine designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 575.049311795 u
Formula C27H31Br2NOS
InChI InChI=1S/C27H31Br2NOS/c1-5-22-15-26(31-3)23(16-27(22)32-4)14-19(2)30(17-20-6-10-24(28)11-7-20)18-21-8-12-25(29)13-9-21/h6-13,15-16,19H,5,14,17-18H2,1-4H3
InChIKey VVIBUSHBYRKBCF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 577.419 g/mol
Nominal Mass 575 u
Quality 951
Retention Index 3922
SMILES C=1(C(=CC(=C(C1)SC)CC)OC)CC(N(CC=1C=CC(=CC1)Br)CC=1C=CC(=CC1)Br)C
SPLASH splash10-00si-0906000000-1fc64d81b52403892b19
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(4-bromobenzyl)-1-[4-ethyl-2-methoxy-5-methylthiophenyl]propan-2-amine
Technique GC/MS
Wiley ID DD2024_021276