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2-(2-bromobenzyl)cyclohexane-1,3-dione
SpectraBase Compound ID 8pvMQlz9mQ
InChI InChI=1S/C13H13BrO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-2,4-5,10H,3,6-8H2
InChIKey DCZPPRYIGSGPIV-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 GcTgMkL8l3d
Name 2-(2-bromobenzyl)cyclohexane-1,3-dione
Alternate Name(s) 2-[(2-bromophenyl)methyl]cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO2
InChI InChI=1S/C13H13BrO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-2,4-5,10H,3,6-8H2
InChIKey DCZPPRYIGSGPIV-UHFFFAOYSA-N
Molecular Weight 281.149 g/mol
SMILES C1(=O)C(Cc2ccccc2Br)C(CCC1)=O
SPLASH splash10-0udi-0290000000-7c1db6b23f7f860989e2
Source of Spectrum CAJ-6-1344/SM5-8g
Wiley ID 1773040