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(-)-(4S,5S)-5-Acetoxy-4-methyldecanonitrile isomer

View entire compound with spectra: 1 MS (GC)

(-)-(4S,5S)-5-Acetoxy-4-methyldecanonitrile isomer
SpectraBase Compound ID 6Iv1u8n0fdM
InChI InChI=1S/C13H23NO2/c1-4-5-6-9-13(16-12(3)15)11(2)8-7-10-14/h11,13H,4-9H2,1-3H3/t11-,13-/m0/s1
InChIKey VBXPMEVFTZIEKS-AAEUAGOBSA-N
Mol Weight 225.33 g/mol
Molecular Formula C13H23NO2
Exact Mass 225.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPJfcIBhg0T
Name (-)-(4S,5S)-5-Acetoxy-4-methyldecanonitrile isomer
Alternate Name(s) (-)-(4S,5S)-5-Acetoxy-4-methylnonanonitrile isomer Acetic acid[(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl]ester Acetic acid[(3S,4S)-1-cyano-3-methylnonan-4-yl]ester [(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl]acetate [(3S,4S)-1-cyano-3-methyl-nonan-4-yl]ethanoate [(3S,4S)-1-cyano-3-methylnonan-4-yl]acetate Acetic acid [(3S,4S)-1-cyano-3-methylnonan-4-yl] ester [(3S,4S)-1-cyano-3-methylnonan-4-yl] acetate [(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl] acetate [(3S,4S)-1-cyano-3-methyl-nonan-4-yl] ethanoate
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Formula C13H23NO2
InChI InChI=1S/C13H23NO2/c1-4-5-6-9-13(16-12(3)15)11(2)8-7-10-14/h11,13H,4-9H2,1-3H3/t11-,13-/m0/s1
InChIKey VBXPMEVFTZIEKS-AAEUAGOBSA-N
Molecular Weight 225.332 g/mol
SMILES C(#N)CC[C@@]([C@@](OC(=O)C)(CCCCC)[H])(C)[H]
SPLASH splash10-0kai-9500000000-14ab2e41daf691857b87
Source of Spectrum KD-12-1877-21
Wiley ID 1634585