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(+)-(3S,4R)-4-Acetoxy-3-methylnonan-1-ol
SpectraBase Compound ID VAZ6dwC48q
InChI InChI=1S/C12H24O3/c1-4-5-6-7-12(15-11(3)14)10(2)8-9-13/h10,12-13H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKey QFJZELZKFQTFDO-CMPLNLGQSA-N
Mol Weight 216.32 g/mol
Molecular Formula C12H24O3
Exact Mass 216.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MsTdLs0glX
Name (+)-(3S,4R)-4-Acetoxy-3-methylnonan-1-ol
Alternate Name(s) Acetic acid[(1R)-1-[(1S)-3-hydroxy-1-methyl-propyl]hexyl]ester Acetic acid[(3S,4R)-1-hydroxy-3-methylnonan-4-yl]ester [(1R)-1-[(1S)-3-hydroxy-1-methyl-propyl]hexyl]acetate [(3S,4R)-1-hydroxy-3-methylnonan-4-yl]acetate [(3S,4R)-3-methyl-1-oxidanyl-nonan-4-yl]ethanoate Acetic acid [(3S,4R)-1-hydroxy-3-methylnonan-4-yl] ester [(3S,4R)-1-hydroxy-3-methylnonan-4-yl] acetate [(1R)-1-[(1S)-3-hydroxy-1-methyl-propyl]hexyl] acetate [(3S,4R)-3-methyl-1-oxidanyl-nonan-4-yl] ethanoate
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Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-4-5-6-7-12(15-11(3)14)10(2)8-9-13/h10,12-13H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKey QFJZELZKFQTFDO-CMPLNLGQSA-N
Molecular Weight 216.321 g/mol
SMILES OCC[C@@]([C@](OC(=O)C)(CCCCC)[H])(C)[H]
SPLASH splash10-052r-9100000000-746f3057205a522c44ab
Source of Spectrum KD-12-1876-20
Wiley ID 1634590