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(S)-(+)-Cyano(4-chlorophenyl)methyl butyrate
SpectraBase Compound ID 3XDH4OysPJk
InChI InChI=1S/C12H12ClNO2/c1-2-3-12(15)16-11(8-14)9-4-6-10(13)7-5-9/h4-7,11H,2-3H2,1H3/t11-/m1/s1
InChIKey HMSGUZKMXOTZMD-LLVKDONJSA-N
Mol Weight 237.69 g/mol
Molecular Formula C12H12ClNO2
Exact Mass 237.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfwT8d8buV3
Name (S)-(+)-Cyano(4-chlorophenyl)methyl butyrate
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Formula C12H12ClNO2
InChI InChI=1S/C12H12ClNO2/c1-2-3-12(15)16-11(8-14)9-4-6-10(13)7-5-9/h4-7,11H,2-3H2,1H3/t11-/m1/s1
InChIKey HMSGUZKMXOTZMD-LLVKDONJSA-N
Molecular Weight 237.686 g/mol
SMILES C(#N)[C@@](OC(=O)CCC)(c1ccc(cc1)Cl)[H]
SPLASH splash10-0fk9-6910000000-a787d0be8f1ba5832155
Source of Spectrum K1-2002-1521-7
Synonyms (S)-(4-chlorophenyl)(cyano)methyl butyrate Butanoic acid[(S)-(4-chlorophenyl)-cyanomethyl]ester Butyric acid[(S)-(4-chlorophenyl)-cyano-methyl]ester Butanoic acid [(S)-(4-chlorophenyl)-cyanomethyl] ester Cyano-[(4'-chlorophenyl)methyl]butyrate [(S)-(4-chlorophenyl)-cyano-methyl]butanoate [(S)-(4-chlorophenyl)-cyanomethyl] butanoate [(S)-(4-chlorophenyl)-cyano-methyl] butanoate
Wiley ID 872122