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(2S,5S)-6-Acetoxy-2,5-dimethyl-1-phenylhexan-3-one
SpectraBase Compound ID BuR6PZFHH0i
InChI InChI=1S/C16H22O3/c1-12(11-19-14(3)17)9-16(18)13(2)10-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3/t12-,13-/m0/s1
InChIKey FADRFSXEHMLFDU-STQMWFEESA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAXeyL7gJf4
Name (2S,5S)-6-Acetoxy-2,5-dimethyl-1-phenylhexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(11-19-14(3)17)9-16(18)13(2)10-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3/t12-,13-/m0/s1
InChIKey FADRFSXEHMLFDU-STQMWFEESA-N
Molecular Weight 262.349 g/mol
SMILES C([C@](Cc1ccccc1)(C)[H])(C[C@@](COC(=O)C)(C)[H])=O
SPLASH splash10-0udi-0940000000-b13ec2b200908ab23b4c
Source of Spectrum J-59-3451-2
Synonyms Acetic acid[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylhexyl]ester Acetic acid[(2S,5S)-4-keto-2,5-dimethyl-6-phenyl-hexyl]ester [(2S,5S)-2,5-dimethyl-4-oxidanylidene-6-phenyl-hexyl]ethanoate [(2S,5S)-2,5-dimethyl-4-oxo-6-phenyl-hexyl]acetate Acetic acid [(2S,5S)-2,5-dimethyl-4-oxo-6-phenylhexyl] ester [(2S,5S)-2,5-dimethyl-4-oxo-6-phenylhexyl] acetate [(2S,5S)-2,5-dimethyl-4-oxo-6-phenyl-hexyl] acetate [(2S,5S)-2,5-dimethyl-4-oxidanylidene-6-phenyl-hexyl] ethanoate
Wiley ID 1266186