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Pentanoic acid, 2-bromo-4,4-dimethyl-3-oxo-, methyl ester
SpectraBase Compound ID 8tJFdymHCPW
InChI InChI=1S/C8H13BrO3/c1-8(2,3)6(10)5(9)7(11)12-4/h5H,1-4H3
InChIKey FQZLKHFVKYHSNO-UHFFFAOYSA-N
Mol Weight 237.09 g/mol
Molecular Formula C8H13BrO3
Exact Mass 236.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlj1be4JptG
Name Pentanoic acid, 2-bromo-4,4-dimethyl-3-oxo-, methyl ester
Alternate Name(s) Methyl 2-bromo-4,4-dimethyl-3-oxopentanoate 2-Bromo-4,4-dimethyl-3-oxopentanoic acid methyl ester Methyl 2-bromo-4,4-dimethyl-3-oxo-pentanoate Methyl 2-bromanyl-4,4-dimethyl-3-oxidanylidene-pentanoate
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Formula C8H13BrO3
InChI InChI=1S/C8H13BrO3/c1-8(2,3)6(10)5(9)7(11)12-4/h5H,1-4H3
InChIKey FQZLKHFVKYHSNO-UHFFFAOYSA-N
Molecular Weight 237.093 g/mol
SMILES COC(=O)C(Br)C(=O)C(C)(C)C
SPLASH splash10-0a4i-9000000000-98a310f55cd38c1a724f
Source of Spectrum JX-2015-1-107
Wiley ID 1720966