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2-Cyclopenten-1-one, 4,5-bis(acetyloxy)-5-[[(phenylmethyl)thio]methyl]-, trans-(.+-.)-
SpectraBase Compound ID DfcQXx3lyd3
InChI InChI=1S/C17H18O5S/c1-12(18)21-16-9-8-15(20)17(16,22-13(2)19)11-23-10-14-6-4-3-5-7-14/h3-9,16H,10-11H2,1-2H3/t16-,17-/m0/s1
InChIKey HCIFRNREWIQNGF-IRXDYDNUSA-N
Mol Weight 334.39 g/mol
Molecular Formula C17H18O5S
Exact Mass 334.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fpcg9uMs4
Name 2-Cyclopenten-1-one, 4,5-bis(acetyloxy)-5-[[(phenylmethyl)thio]methyl]-, trans-(.+-.)-
CAS Registry Number 129076-51-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5S
InChI InChI=1S/C17H18O5S/c1-12(18)21-16-9-8-15(20)17(16,22-13(2)19)11-23-10-14-6-4-3-5-7-14/h3-9,16H,10-11H2,1-2H3/t16-,17-/m0/s1
InChIKey HCIFRNREWIQNGF-IRXDYDNUSA-N
Molecular Weight 334.386 g/mol
SMILES [C@@]1([C@](C=CC1=O)(OC(=O)C)[H])(OC(=O)C)CSCc1ccccc1
SPLASH splash10-0gvo-9700000000-f982fafbd38e72087920
Source of Spectrum F-46-2604-15
Synonyms (1R,2S)-2-(acetyloxy)-1-[(benzylsulfanyl)methyl]-5-oxo-3-cyclopenten-1-yl acetate (4S,5R)-5-benzylthiomethyl-4,5-diacetoxy-2-cyclopentenone Acetic acid[(1S,5R)-5-acetoxy-5-[(benzylthio)methyl]-4-keto-cyclopent-2-en-1-yl]ester Acetic acid[(1S,5R)-5-acetyloxy-4-oxo-5-[(phenylmethylthio)methyl]-1-cyclopent-2-enyl]ester [(1S,5R)-5-acetoxy-5-(benzylsulfanylmethyl)-4-oxo-cyclopent-2-en-1-yl]acetate [(1S,5R)-5-acetyloxy-4-oxidanylidene-5-[(phenylmethylsulfanyl)methyl]cyclopent-2-en-1-yl]ethanoate [(1S,5R)-5-acetyloxy-5-(benzylsulfanylmethyl)-4-oxocyclopent-2-en-1-yl]acetate Acetic acid [(1S,5R)-5-acetyloxy-4-oxo-5-[(phenylmethylthio)methyl]-1-cyclopent-2-enyl] ester [(1S,5R)-5-acetyloxy-5-(benzylsulfanylmethyl)-4-oxocyclopent-2-en-1-yl] acetate [(1S,5R)-5-acetoxy-5-(benzylsulfanylmethyl)-4-oxo-cyclopent-2-en-1-yl] acetate [(1S,5R)-5-acetyloxy-4-oxidanylidene-5-[(phenylmethylsulfanyl)methyl]cyclopent-2-en-1-yl] ethanoate
Wiley ID 1330798