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2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-6-(phenylthio)-, (3a.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID DYS6f2vcSm5
InChI InChI=1S/C13H12O2S/c14-12-8-9-6-7-11(13(9)15-12)16-10-4-2-1-3-5-10/h1-7,9,11,13H,8H2/t9-,11+,13+/m1/s1
InChIKey IWFLDOARIXDOEM-CDMKHQONSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91wAG3BhXpM
Name 2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-6-(phenylthio)-, (3a.alpha.,6.alpha.,6a.alpha.)-
CAS Registry Number 75800-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c14-12-8-9-6-7-11(13(9)15-12)16-10-4-2-1-3-5-10/h1-7,9,11,13H,8H2/t9-,11+,13+/m1/s1
InChIKey IWFLDOARIXDOEM-CDMKHQONSA-N
Molecular Weight 232.297 g/mol
SMILES [C@]12(OC(=O)C[C@]2(C=C[C@@]1(Sc1ccccc1)[H])[H])[H]
SPLASH splash10-001i-4590000000-193879a2b1e9cc58fdc9
Source of Spectrum K-115-353-0
Synonyms (3aS,6S,6aS)-6-(phenylsulfanyl)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-one exo-8-(phenylthio)-2-oxabicyclo[3.3.0]oct-6-en-3-one
Wiley ID 1233691