For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Bromo-4,5-dimethoxyphenethylamine HFB
SpectraBase Compound ID 8acbVtfbV13
InChI InChI=1S/C14H13BrF7NO3/c1-25-9-5-7(8(15)6-10(9)26-2)3-4-23-11(24)12(16,17)13(18,19)14(20,21)22/h5-6H,3-4H2,1-2H3,(H,23,24)
InChIKey XYVSXNBRALIYLU-UHFFFAOYSA-N
Mol Weight 456.15 g/mol
Molecular Formula C14H13BrF7NO3
Exact Mass 454.996703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8KYBTt5qi2a
Name 2-Bromo-4,5-dimethoxyphenethylamine HFB
Classification Designer drug isomer derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 454.996703421 u
Formula C14H13BrF7NO3
InChI InChI=1S/C14H13BrF7NO3/c1-25-9-5-7(8(15)6-10(9)26-2)3-4-23-11(24)12(16,17)13(18,19)14(20,21)22/h5-6H,3-4H2,1-2H3,(H,23,24)
InChIKey XYVSXNBRALIYLU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 456.155 g/mol
Nominal Mass 455 u
Quality 991
Retention Index 1922
SMILES C(C(C(NCCC=1C(=CC(=C(C1)OC)OC)Br)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-005c-4590000000-f35bbc91bc3e1f3794b7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
Technique GC/MS
Wiley ID DD2024_009052