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(S)-(+)-Methyl 3-O-Benzyl-4-cyanobutanoate
SpectraBase Compound ID 27FpBI3k2SS
InChI InChI=1S/C13H15NO3/c1-16-13(15)9-12(7-8-14)17-10-11-5-3-2-4-6-11/h2-6,12H,7,9-10H2,1H3/t12-/m0/s1
InChIKey LKMUWEJDPCPWFL-LBPRGKRZSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXYfiU28F3
Name (S)-(+)-Methyl 3-O-Benzyl-4-cyanobutanoate
Alternate Name(s) (3S)-4-cyano-3-phenylmethoxybutanoic acid methyl ester Methyl (3S)-4-cyano-3-phenylmethoxybutanoate Methyl (3S)-3-benzyloxy-4-cyano-butanoate Methyl (3S)-4-cyano-3-phenylmethoxy-butanoate
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Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-16-13(15)9-12(7-8-14)17-10-11-5-3-2-4-6-11/h2-6,12H,7,9-10H2,1H3/t12-/m0/s1
InChIKey LKMUWEJDPCPWFL-LBPRGKRZSA-N
Molecular Weight 233.267 g/mol
SMILES C(#N)C[C@@](CC(=O)OC)(OCc1ccccc1)[H]
SPLASH splash10-052f-9620000000-d37d0b21fc5eac4216bf
Source of Spectrum QC-4-1100-10
Wiley ID 883290