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(S)-(-)-Acetoxy-4-phenyl-butanenitrile
SpectraBase Compound ID HXXXAuBEWuc
InChI InChI=1S/C12H13NO2/c1-10(14)15-12(9-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3/t12-/m0/s1
InChIKey KPAMJASXSZFFLW-LBPRGKRZSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yfW0jJtYpb
Name (S)-(-)-Acetoxy-4-phenyl-butanenitrile
Alternate Name(s) (S)-(-)-2-Acetoxy-4-phenylbutanenitrile (1S)-1-cyano-3-phenylpropyl acetate Acetic acid [(1S)-1-cyano-3-phenylpropyl] ester [(1S)-1-cyano-3-phenylpropyl] acetate [(1S)-1-cyano-3-phenyl-propyl] acetate [(1S)-1-cyano-3-phenyl-propyl] ethanoate
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Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-10(14)15-12(9-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3/t12-/m0/s1
InChIKey KPAMJASXSZFFLW-LBPRGKRZSA-N
Molecular Weight 203.241 g/mol
SMILES C(#N)[C@@](OC(=O)C)(CCc1ccccc1)[H]
SPLASH splash10-0006-9300000000-1dad2683a95370e2a3dc
Source of Spectrum F-65-629-2u
Wiley ID 1682102