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(1R,6R)-1-acetoxy-6-(benzyloxy)-1-phenylheptan-4-one
SpectraBase Compound ID BNHNTY1FusA
InChI InChI=1S/C22H26O4/c1-17(25-16-19-9-5-3-6-10-19)15-21(24)13-14-22(26-18(2)23)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3/t17-,22-/m1/s1
InChIKey LTMQLALICZWAQI-VGOFRKELSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85VJVOpmvnG
Name (1R,6R)-1-acetoxy-6-(benzyloxy)-1-phenylheptan-4-one
Alternate Name(s) (1R,6R)-6-(benzyloxy)-4-oxo-1-phenylheptyl acetate Acetic acid[(1R,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl]ester Acetic acid[(1R,6R)-6-benzoxy-4-keto-1-phenyl-heptyl]ester [(1R,6R)-4-oxidanylidene-1-phenyl-6-phenylmethoxy-heptyl]ethanoate [(1R,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl]acetate Acetic acid [(1R,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl] ester [(1R,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl] acetate [(1R,6R)-6-benzyloxy-4-oxo-1-phenyl-heptyl] acetate [(1R,6R)-4-oxidanylidene-1-phenyl-6-phenylmethoxy-heptyl] ethanoate
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Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-17(25-16-19-9-5-3-6-10-19)15-21(24)13-14-22(26-18(2)23)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3/t17-,22-/m1/s1
InChIKey LTMQLALICZWAQI-VGOFRKELSA-N
Molecular Weight 354.446 g/mol
SMILES C(O[C@](CCC(C[C@](OCc1ccccc1)(C)[H])=O)(c1ccccc1)[H])(=O)C
SPLASH splash10-0006-9030000000-e98c38475c38dd0df4c9
Source of Spectrum J-59-3452-2
Wiley ID 1344875