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5-(Benzyloxy)cyclooctanone (2S,3S)-1,4-di-O-methyl-1,2,3,4-butanetetraol ketal
SpectraBase Compound ID CXKxpXyMS0s
InChI InChI=1S/C21H32O5/c1-22-15-19-20(16-23-2)26-21(25-19)12-6-10-18(11-7-13-21)24-14-17-8-4-3-5-9-17/h3-5,8-9,18-20H,6-7,10-16H2,1-2H3/t19-,20-/m0/s1
InChIKey AUJFSQHXMTVNFK-PMACEKPBSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJODtd8VDdv
Name 5-(Benzyloxy)cyclooctanone (2S,3S)-1,4-di-O-methyl-1,2,3,4-butanetetraol ketal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-22-15-19-20(16-23-2)26-21(25-19)12-6-10-18(11-7-13-21)24-14-17-8-4-3-5-9-17/h3-5,8-9,18-20H,6-7,10-16H2,1-2H3/t19-,20-/m0/s1
InChIKey AUJFSQHXMTVNFK-PMACEKPBSA-N
Molecular Weight 364.482 g/mol
SMILES C12(O[C@@](COC)([C@@](O2)(COC)[H])[H])CCCC(OCc2ccccc2)CCC1
SPLASH splash10-014u-5940000000-96f580977505f19823b6
Source of Spectrum F-53-9049-4
Synonyms (2S,3S)-9-(benzyloxy)-2,3-bis(methoxymethyl)-1,4-dioxaspiro[4.7]dodecane
Wiley ID 802767