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(1S,6R)-1-acetoxy-6-(benzyloxy)-1-phenylheptan-4-one
SpectraBase Compound ID 8JvXKFXgkiI
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-VGSWGCGISA-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 AV2rdjk6wZi
Name (1S,6R)-1-acetoxy-6-(benzyloxy)-1-phenylheptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-VGSWGCGISA-N
Molecular Weight 354.446 g/mol
SMILES C(O[C@@](CCC(C[C@](OCc1ccccc1)(C)[H])=O)(c1ccccc1)[H])(=O)C
SPLASH splash10-0006-9010000000-ebdad6a576fbd4806010
Source of Spectrum J-59-3452-2
Synonyms (1S,6R)-6-(benzyloxy)-4-oxo-1-phenylheptyl acetate Acetic acid[(1S,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl]ester Acetic acid[(1S,6R)-6-benzoxy-4-keto-1-phenyl-heptyl]ester [(1S,6R)-4-oxidanylidene-1-phenyl-6-phenylmethoxy-heptyl]ethanoate [(1S,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl]acetate Acetic acid [(1S,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl] ester [(1S,6R)-4-oxo-1-phenyl-6-phenylmethoxyheptyl] acetate [(1S,6R)-6-benzyloxy-4-oxo-1-phenyl-heptyl] acetate [(1S,6R)-4-oxidanylidene-1-phenyl-6-phenylmethoxy-heptyl] ethanoate
Wiley ID 1344874