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3C-DFE N-(4-bromobenzyl)-A (-2H)
SpectraBase Compound ID slr3Qm1cp
InChI InChI=1S/C20H22BrF2NO3/c1-13(24-11-14-4-6-16(21)7-5-14)8-15-9-17(25-2)20(18(10-15)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+
InChIKey ASFJUDVHASIWDI-BHGWPJFGSA-N
Mol Weight 442.3 g/mol
Molecular Formula C20H22BrF2NO3
Exact Mass 441.075113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JleIuOZxiM0
Name 3C-DFE N-(4-bromobenzyl)-A (-2H)
Classification Designer drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 441.075112895 u
Formula C20H22BrF2NO3
InChI InChI=1S/C20H22BrF2NO3/c1-13(24-11-14-4-6-16(21)7-5-14)8-15-9-17(25-2)20(18(10-15)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+
InChIKey ASFJUDVHASIWDI-BHGWPJFGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 442.301 g/mol
Nominal Mass 441 u
Quality 984
Retention Index 2569
SMILES C1(=C(C=C(C=C1OC)CC(\N=C\C=1C=CC(=CC1)Br)C)OC)OCC(F)F
SPLASH splash10-03di-1390000000-1327812f0e67c6cec4d5
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-Bromophenyl)-N-(1-[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]propan-2-yl)methanimine
Technique GC/MS
Wiley ID DD2024_021315