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Isopropyl (E)-2-cyano-3-phenyl-2-propenoate
SpectraBase Compound ID LSt2ndjWvQs
InChI InChI=1S/C13H13NO2/c1-10(2)16-13(15)12(9-14)8-11-6-4-3-5-7-11/h3-8,10H,1-2H3/b12-8+
InChIKey SDAQUBRNAPYZTB-XYOKQWHBSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APhxSMk6EOX
Name Isopropyl (E)-2-cyano-3-phenyl-2-propenoate
Alternate Name(s) isopropyl (2E)-2-cyano-3-phenyl-2-propenoate (E)-2-cyano-3-phenyl-2-propenoic acid propan-2-yl ester Propan-2-yl (E)-2-cyano-3-phenylprop-2-enoate isopropyl (E)-2-cyano-3-phenyl-prop-2-enoate Propan-2-yl (E)-2-cyano-3-phenyl-prop-2-enoate
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Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-10(2)16-13(15)12(9-14)8-11-6-4-3-5-7-11/h3-8,10H,1-2H3/b12-8+
InChIKey SDAQUBRNAPYZTB-XYOKQWHBSA-N
Molecular Weight 215.252 g/mol
SMILES C(\C(=C\c1ccccc1)C#N)(=O)OC(C)C
SPLASH splash10-00fr-2900000000-c84e6ab9d0453fd2e031
Source of Spectrum KC-61-7984-2
Wiley ID 1630155