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2-cyano-2-(2,6-dimethylphenyl)acetic acid ethyl ester
SpectraBase Compound ID DyJjN7Hht7e
InChI InChI=1S/C13H15NO2/c1-4-16-13(15)11(8-14)12-9(2)6-5-7-10(12)3/h5-7,11H,4H2,1-3H3
InChIKey KSHSGNVLBSYYIM-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 GM6Hl8s6BVf
Name 2-cyano-2-(2,6-dimethylphenyl)acetic acid ethyl ester
Alternate Name(s) Ethyl 2-cyano-2-(2,6-dimethylphenyl)acetate Ethyl 2-cyano-2-(2,6-dimethylphenyl)ethanoate
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Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-4-16-13(15)11(8-14)12-9(2)6-5-7-10(12)3/h5-7,11H,4H2,1-3H3
InChIKey KSHSGNVLBSYYIM-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C(c1c(cccc1C)C)(C(=O)OCC)C#N
SPLASH splash10-00kf-0920000000-c10683fd90f4363dac3c
Source of Spectrum KC-1993-297-11
Wiley ID 778793