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2-Bromo-1-phenylhexan-1-one
SpectraBase Compound ID FmhCe88iz01
InChI InChI=1S/C12H15BrO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey MQIJCWVCTPNMKW-UHFFFAOYSA-N
Mol Weight 255.15 g/mol
Molecular Formula C12H15BrO
Exact Mass 254.030628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lgzIK5IEZE
Name 2-Bromo-1-phenylhexan-1-one
Classification Designer drug precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 254.030628102 u
Formula C12H15BrO
InChI InChI=1S/C12H15BrO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey MQIJCWVCTPNMKW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 255.155 g/mol
Nominal Mass 254 u
Quality 951
Retention Index 1669
SMILES C1(C(C(CCCC)Br)=O)=CC=CC=C1
SPLASH splash10-0a6r-4900000000-5701a65b89c0a36ada0a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms alpha-Bromo-hexanophenone
Technique GC/MS
Wiley ID DD2024_000313