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6-Bromo-3-oxo-2-(p-chlorophenyl)hexanoic Acid Methyl Ester
SpectraBase Compound ID 9hi13XrV5ZK
InChI InChI=1S/C13H14BrClO3/c1-18-13(17)12(11(16)3-2-8-14)9-4-6-10(15)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKey MEMBHEFRVBPLDQ-UHFFFAOYSA-N
Mol Weight 333.61 g/mol
Molecular Formula C13H14BrClO3
Exact Mass 331.981485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5SeDDcsNVV
Name 6-Bromo-3-oxo-2-(p-chlorophenyl)hexanoic Acid Methyl Ester
Alternate Name(s) Methyl 6-bromo-2-(4-chlorophenyl)-3-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14BrClO3
InChI InChI=1S/C13H14BrClO3/c1-18-13(17)12(11(16)3-2-8-14)9-4-6-10(15)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKey MEMBHEFRVBPLDQ-UHFFFAOYSA-N
Molecular Weight 333.609 g/mol
SMILES C(C(C(CCCBr)=O)c1ccc(cc1)Cl)(=O)OC
SPLASH splash10-000t-0903000000-b40ff916a038485cf61f
Source of Spectrum F-70-3822-3
Wiley ID 1596833