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(2R,3E)-2-(Methoxycarbonyloxy-4-phenyl)but-3-enenitrile
SpectraBase Compound ID LdldtlfpXwy
InChI InChI=1S/C12H11NO3/c1-15-12(14)16-11(9-13)8-7-10-5-3-2-4-6-10/h2-8,11H,1H3/b8-7+/t11-/m1/s1
InChIKey GARRBVBIKHRLMC-WSKFYRRCSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CF3X5lX1vJ4
Name (2R,3E)-2-(Methoxycarbonyloxy-4-phenyl)but-3-enenitrile
Alternate Name(s) (1R,2E)-1-cyano-3-phenyl-2-propenyl methyl carbonate Carbonic acid[(E,1R)-1-cyano-3-phenyl-allyl]methyl ester Carbonic acid[(E,1R)-1-cyano-3-phenylprop-2-enyl]methyl ester [(E,1R)-1-cyano-3-phenyl-allyl]methyl carbonate [(E,1R)-1-cyano-3-phenyl-prop-2-enyl]methyl carbonate Carbonic acid [(E,1R)-1-cyano-3-phenylprop-2-enyl] methyl ester [(E,1R)-1-cyano-3-phenylprop-2-enyl] methyl carbonate [(E,1R)-1-cyano-3-phenyl-allyl] methyl carbonate [(E,1R)-1-cyano-3-phenyl-prop-2-enyl] methyl carbonate
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Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-15-12(14)16-11(9-13)8-7-10-5-3-2-4-6-10/h2-8,11H,1H3/b8-7+/t11-/m1/s1
InChIKey GARRBVBIKHRLMC-WSKFYRRCSA-N
Molecular Weight 217.224 g/mol
SMILES C(O[C@@](C#N)(\C=C\c1ccccc1)[H])(=O)OC
SPLASH splash10-00kf-0900000000-c85b8d2fcec1983f82d1
Source of Spectrum K1-0-1955-7
Wiley ID 1588762