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(4-cyanophenyl)methyl 2,2-dimethylpropanoate
SpectraBase Compound ID HBr2GBDvupc
InChI InChI=1S/C13H15NO2/c1-13(2,3)12(15)16-9-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3
InChIKey IQFIMJUIJMPLDF-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64CsiyMjJtg
Name (4-cyanophenyl)methyl 2,2-dimethylpropanoate
Alternate Name(s) 2,2-Dimethylpropanoic acid (4-cyanophenyl)methyl ester 4-Cyanobenzyl Pivalate 2,2-Dimethylpropionic acid (4-cyanobenzyl) ester
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Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-13(2,3)12(15)16-9-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3
InChIKey IQFIMJUIJMPLDF-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C(C(C)(C)C)(OCc1ccc(C#N)cc1)=O
SPLASH splash10-0a4i-9200000000-4177ead00c38aac26514
Source of Spectrum C-116-3345-8
Wiley ID 1216701