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1-(2-Methylphenyl)-2-bromo-hexan-1-one
SpectraBase Compound ID 9nhyJToWtiU
InChI InChI=1S/C13H17BrO/c1-3-4-9-12(14)13(15)11-8-6-5-7-10(11)2/h5-8,12H,3-4,9H2,1-2H3
InChIKey VQPZSTRJJJKNCO-UHFFFAOYSA-N
Mol Weight 269.18 g/mol
Molecular Formula C13H17BrO
Exact Mass 268.046278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIkIMGxeHuy
Name 1-(2-Methylphenyl)-2-bromo-hexan-1-one
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 268.046278166 u
Formula C13H17BrO
InChI InChI=1S/C13H17BrO/c1-3-4-9-12(14)13(15)11-8-6-5-7-10(11)2/h5-8,12H,3-4,9H2,1-2H3
InChIKey VQPZSTRJJJKNCO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 269.182 g/mol
Nominal Mass 268 u
Quality 995
Retention Index 1769
SMILES C=1(C(C(CCCC)Br)=O)C(=CC=CC1)C
SPLASH splash10-014i-2900000000-c264611affb2d6009400
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-bromo-1-(2-methylphenyl)hexan-1-one
Technique GC/MS
Wiley ID DD2024_002319