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4-Bromo-alpha-phenethylamine HFB
SpectraBase Compound ID Hc0j8hvYLCE
InChI InChI=1S/C12H9BrF7NO/c1-6(7-2-4-8(13)5-3-7)21-9(22)10(14,15)11(16,17)12(18,19)20/h2-6H,1H3,(H,21,22)
InChIKey BWGJFBWGEMISAF-UHFFFAOYSA-N
Mol Weight 396.1 g/mol
Molecular Formula C12H9BrF7NO
Exact Mass 394.975574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o0D5VzKecS
Name 4-Bromo-alpha-phenethylamine HFB
Classification beta-isomeric amphetamine derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 394.975574054 u
Formula C12H9BrF7NO
InChI InChI=1S/C12H9BrF7NO/c1-6(7-2-4-8(13)5-3-7)21-9(22)10(14,15)11(16,17)12(18,19)20/h2-6H,1H3,(H,21,22)
InChIKey BWGJFBWGEMISAF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.103 g/mol
Nominal Mass 395 u
Quality 912
Retention Index 1549
SMILES C(C(C(NC(C1=CC=C(C=C1)Br)C)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-0uea-7904000000-7c0968de7cfe14661e49
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[1-(4-Bromophenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
Technique GC/MS
Wiley ID DD2024_021913