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4'-Bromo-2-azepinopropiophenone
SpectraBase Compound ID D4TbmSeBOum
InChI InChI=1S/C15H20BrNO/c1-12(17-10-4-2-3-5-11-17)15(18)13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11H2,1H3
InChIKey INHTVMUUVPXTJS-UHFFFAOYSA-N
Mol Weight 310.24 g/mol
Molecular Formula C15H20BrNO
Exact Mass 309.072827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J75AjRJBce
Name 4'-Bromo-2-azepinopropiophenone
Classification Cathinone analog designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.072827267 u
Formula C15H20BrNO
InChI InChI=1S/C15H20BrNO/c1-12(17-10-4-2-3-5-11-17)15(18)13-6-8-14(16)9-7-13/h6-9,12H,2-5,10-11H2,1H3
InChIKey INHTVMUUVPXTJS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.235 g/mol
Nominal Mass 309 u
Quality 994
Retention Index 2107
SMILES C(N1CCCCCC1)(C(C=1C=CC(=CC1)Br)=O)C
SPLASH splash10-004i-5900000000-c2dc5c85d9158f0d8cee
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(azepan-1-yl)-1-(4-bromophenyl)propan-1-one
Technique GC/MS
Wiley ID DD2024_012941