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(3aR,5aS,6S,8aR,8bS)-6-ethyl-3,3a,5a,6,7,8,8a,8b-octahydrocyclopenta[g]isobenzofuran-1-one
SpectraBase Compound ID FrW0qtHil6p
InChI InChI=1S/C13H18O2/c1-2-8-3-6-11-10(8)5-4-9-7-15-13(14)12(9)11/h4-5,8-12H,2-3,6-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1
InChIKey OCOFCUSPESHPJB-PREPNJAASA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cJJf8CGb9r
Name (3aR,5aS,6S,8aR,8bS)-6-ethyl-3,3a,5a,6,7,8,8a,8b-octahydrocyclopenta[g]isobenzofuran-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-8-3-6-11-10(8)5-4-9-7-15-13(14)12(9)11/h4-5,8-12H,2-3,6-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1
InChIKey OCOFCUSPESHPJB-PREPNJAASA-N
Molecular Weight 206.285 g/mol
SMILES [C@@]12([C@](C=C[C@@]3([C@]2(C(OC3)=O)[H])[H])([C@@](CC)(CC1)[H])[H])[H]
SPLASH splash10-0002-9000000000-d3b4d0ca7ce241c622da
Source of Spectrum J-59-343-31
Synonyms (3aR,5aS,6S,8aR,8bS)-6-ethyl-3,3a,5a,6,7,8,8a,8b-octahydrocyclopenta[g][2]benzofuran-1-one (3aR,5aS,6S,8aR,8bS)-6-ethyl-3,3a,5a,6,7,8,8a,8b-octahydrocyclopent[g]isobenzofuran-1-one
Wiley ID 1204827