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Methyl 3-(4-chlorophenyl)-2,2-dimethypropanoate
SpectraBase Compound ID rnt3T9jwRk
InChI InChI=1S/C12H15ClO2/c1-12(2,11(14)15-3)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKey BJKFAOIYVIOCLG-UHFFFAOYSA-N
Mol Weight 226.7 g/mol
Molecular Formula C12H15ClO2
Exact Mass 226.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5AYzuN7gKZ
Name Methyl 3-(4-chlorophenyl)-2,2-dimethypropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClO2
InChI InChI=1S/C12H15ClO2/c1-12(2,11(14)15-3)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKey BJKFAOIYVIOCLG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701684n
Molecular Weight 226.703 g/mol
SMILES CC(C)(Cc1ccc(Cl)cc1)C(OC)=O
SPLASH splash10-004i-0910000000-6b0b8bcaba0a3fc20f71
Source of Spectrum A1-9-4931/SMS10-3ha
Synonyms Methyl 3-(4-chlorophenyl)-2,2-dimethylpropanoate 3-(4-Chlorophenyl)-2,2-dimethylpropanoic acid methyl ester Methyl 3-(4-chlorophenyl)-2,2-dimethyl-propanoate
Wiley ID 1758612