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2-(3-bromobenzyl)cyclohexane-1,3-dione
SpectraBase Compound ID ZwnFF9A6lQ
InChI InChI=1S/C13H13BrO2/c14-10-4-1-3-9(7-10)8-11-12(15)5-2-6-13(11)16/h1,3-4,7,11H,2,5-6,8H2
InChIKey MPQOQBCYTXWRCS-UHFFFAOYSA-N
Mol Weight 281.15 g/mol
Molecular Formula C13H13BrO2
Exact Mass 280.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlFoJBtzCnO
Name 2-(3-bromobenzyl)cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO2
InChI InChI=1S/C13H13BrO2/c14-10-4-1-3-9(7-10)8-11-12(15)5-2-6-13(11)16/h1,3-4,7,11H,2,5-6,8H2
InChIKey MPQOQBCYTXWRCS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 281.149 g/mol
SMILES C1(=O)C(Cc2cccc(c2)Br)C(CCC1)=O
SPLASH splash10-001j-0690000000-83f88d3cf4a37809e207
Source of Spectrum CAJ-6-1344/SM4-8f
Wiley ID 1773039