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Methyl 2,2-dimethyl-3-phenylbutanoate
SpectraBase Compound ID IwcI1pRAi5o
InChI InChI=1S/C13H18O2/c1-10(11-8-6-5-7-9-11)13(2,3)12(14)15-4/h5-10H,1-4H3
InChIKey XFLCYIYUNQOVJS-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuEYczp2l0t
Name Methyl 2,2-dimethyl-3-phenylbutanoate
Alternate Name(s) 2,2-Dimethyl-3-phenylbutanoic acid methyl ester Methyl 2,2-dimethyl-3-phenyl-butanoate
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-10(11-8-6-5-7-9-11)13(2,3)12(14)15-4/h5-10H,1-4H3
InChIKey XFLCYIYUNQOVJS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701684n
Molecular Weight 206.285 g/mol
SMILES CC(C)(C(c1ccccc1)C)C(=O)OC
SPLASH splash10-0a4i-0900000000-57c60374eb46ff880897
Source of Spectrum A1-9-4931/SMS15-3ja
Wiley ID 1758613