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(+-)-(3a.alpha.,6.alpha.,9a.alpha.)-Heptahydro-2H,7H-3,9a-ethanocyclopenta[b]oxocin-2-one
SpectraBase Compound ID 8dWihwTDsee
InChI InChI=1S/C12H18O2/c13-11-9-3-1-4-10-5-2-7-12(10,14-11)8-6-9/h9-10H,1-8H2/t9-,10?,12-/m1/s1
InChIKey ZMBWSPMGNBRYAF-UPCOPKIUSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PTfI1WSfI
Name (+-)-(3a.alpha.,6.alpha.,9a.alpha.)-Heptahydro-2H,7H-3,9a-ethanocyclopenta[b]oxocin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c13-11-9-3-1-4-10-5-2-7-12(10,14-11)8-6-9/h9-10H,1-8H2/t9-,10?,12-/m1/s1
InChIKey ZMBWSPMGNBRYAF-UPCOPKIUSA-N
Molecular Weight 194.274 g/mol
SMILES C1(O[C@]23C(CCC[C@@]1(CC3)[H])CCC2)=O
SPLASH splash10-05i0-9700000000-6e31f8c7d11292b59ac2
Source of Spectrum C-118-2870-42
Synonyms (1R,9R)-11-Oxa-tricyclo[7.2.2.0*1,5*]tridecan-10-one Heptahydro-2H,7H-3,9a-ethanocyclopent[b]oxocin-2-one (1R,9R)-11-oxatricyclo[7.2.2.0(1,5)]tridecan-10-one
Wiley ID 759576