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1C-B N,N-bis(3-bromobenzyl)
SpectraBase Compound ID LLAMNyKhstF
InChI InChI=1S/C23H22Br3NO2/c1-28-22-12-21(26)23(29-2)11-18(22)15-27(13-16-5-3-7-19(24)9-16)14-17-6-4-8-20(25)10-17/h3-12H,13-15H2,1-2H3
InChIKey RCQQGIJGWRCCLU-UHFFFAOYSA-N
Mol Weight 584.15 g/mol
Molecular Formula C23H22Br3NO2
Exact Mass 580.920068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30fSfzHzYDe
Name 1C-B N,N-bis(3-bromobenzyl)
Classification Designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 580.920067950 u
Formula C23H22Br3NO2
InChI InChI=1S/C23H22Br3NO2/c1-28-22-12-21(26)23(29-2)11-18(22)15-27(13-16-5-3-7-19(24)9-16)14-17-6-4-8-20(25)10-17/h3-12H,13-15H2,1-2H3
InChIKey RCQQGIJGWRCCLU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 584.146 g/mol
Nominal Mass 581 u
Quality 999
Retention Index 3837
SMILES C1(=C(C=C(C(=C1)OC)Br)OC)CN(CC1=CC(=CC=C1)Br)CC=1C=C(C=CC1)Br
SPLASH splash10-001i-5892000000-f1b8c2d8a4604f7db507
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-bromobenzyl)-4-bromo-2,5-dimethoxybenzylamine N,N-Bis(3-bromobenzyl)(4-bromo-2,5-dimethoxyphenyl)methanamine
Technique GC/MS
Wiley ID DD2024_021021