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Ethyl .beta.-tert-butyl-.alpha.-cyano-.beta.-phenylpropionate
SpectraBase Compound ID BA5N6L7BdVN
InChI InChI=1S/C16H21NO2/c1-5-19-15(18)13(11-17)14(16(2,3)4)12-9-7-6-8-10-12/h6-10,13-14H,5H2,1-4H3
InChIKey WPSHLHNYNWPYHU-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGke4huc7kq
Name Ethyl .beta.-tert-butyl-.alpha.-cyano-.beta.-phenylpropionate
Alternate Name(s) Ethyl 2-cyano-4,4-dimethyl-3-phenylpentanoate
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Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-5-19-15(18)13(11-17)14(16(2,3)4)12-9-7-6-8-10-12/h6-10,13-14H,5H2,1-4H3
InChIKey WPSHLHNYNWPYHU-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES C(C(C(C)(C)C)c1ccccc1)(C(=O)OCC)C#N
SPLASH splash10-0a4i-9410000000-337f37310e81dbdbc965
Source of Spectrum C-117-5972-14
Wiley ID 759055