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3-[1-(3-Bromo-phenyl)-ethyl]-pentane-2,4-dione
SpectraBase Compound ID JfT0pzFNgfv
InChI InChI=1S/C13H15BrO2/c1-8(13(9(2)15)10(3)16)11-5-4-6-12(14)7-11/h4-8,13H,1-3H3
InChIKey KMTBCKBZORXDPK-UHFFFAOYSA-N
Mol Weight 283.17 g/mol
Molecular Formula C13H15BrO2
Exact Mass 282.025543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kl3XlKXQgAx
Name 3-[1-(3-Bromo-phenyl)-ethyl]-pentane-2,4-dione
Alternate Name(s) 3-(1-(3-bromophenyl)ethyl)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BrO2
InChI InChI=1S/C13H15BrO2/c1-8(13(9(2)15)10(3)16)11-5-4-6-12(14)7-11/h4-8,13H,1-3H3
InChIKey KMTBCKBZORXDPK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070624a
Molecular Weight 283.165 g/mol
SMILES C(C(=O)C)(C(c1cccc(c1)Br)C)C(=O)C
SPLASH splash10-000l-0290000000-9701ec8a9fa6a2015b9b
Source of Spectrum A1-9-2027/SMS7-3fa
Wiley ID 1758141