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2-Cyclopenten-1-one, 4,5-bis(acetyloxy)-5-[(phenylthio)methyl]-, trans-(.+-.)-
SpectraBase Compound ID EHiy2OKK5gC
InChI InChI=1S/C16H16O5S/c1-11(17)20-15-9-8-14(19)16(15,21-12(2)18)10-22-13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3/t15-,16-/m0/s1
InChIKey PVRZUHICNPZYRN-HOTGVXAUSA-N
Mol Weight 320.36 g/mol
Molecular Formula C16H16O5S
Exact Mass 320.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SmXg3D2DJM
Name 2-Cyclopenten-1-one, 4,5-bis(acetyloxy)-5-[(phenylthio)methyl]-, trans-(.+-.)-
CAS Registry Number 129076-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5S
InChI InChI=1S/C16H16O5S/c1-11(17)20-15-9-8-14(19)16(15,21-12(2)18)10-22-13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3/t15-,16-/m0/s1
InChIKey PVRZUHICNPZYRN-HOTGVXAUSA-N
Molecular Weight 320.359 g/mol
SMILES [C@@]1([C@](C=CC1=O)(OC(=O)C)[H])(OC(=O)C)CSc1ccccc1
SPLASH splash10-0006-9701000000-26ddb029c1b0c1bf3db1
Source of Spectrum F-46-2603-14
Synonyms (1R,2S)-2-(acetyloxy)-5-oxo-1-[(phenylsulfanyl)methyl]-3-cyclopenten-1-yl acetate (4S,5R)-4,5-diacetoxy-5-phenylthiomethyl-2-cyclopentenone Acetic acid[(1S,5R)-5-acetoxy-4-keto-5-[(phenylthio)methyl]cyclopent-2-en-1-yl]ester Acetic acid[(1S,5R)-5-acetyloxy-4-oxo-5-[(phenylthio)methyl]-1-cyclopent-2-enyl]ester [(1S,5R)-5-acetoxy-4-oxo-5-(phenylsulfanylmethyl)cyclopent-2-en-1-yl]acetate [(1S,5R)-5-acetyloxy-4-oxidanylidene-5-(phenylsulfanylmethyl)cyclopent-2-en-1-yl]ethanoate [(1S,5R)-5-acetyloxy-4-oxo-5-(phenylsulfanylmethyl)cyclopent-2-en-1-yl]acetate Acetic acid [(1S,5R)-5-acetyloxy-4-oxo-5-[(phenylthio)methyl]-1-cyclopent-2-enyl] ester [(1S,5R)-5-acetyloxy-4-oxo-5-(phenylsulfanylmethyl)cyclopent-2-en-1-yl] acetate [(1S,5R)-5-acetoxy-4-oxo-5-(phenylsulfanylmethyl)cyclopent-2-en-1-yl] acetate [(1S,5R)-5-acetyloxy-4-oxidanylidene-5-(phenylsulfanylmethyl)cyclopent-2-en-1-yl] ethanoate
Wiley ID 1319909