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rel-(3aR,5aS,9S,9aR)-1,2,3a,4,5,5a,8,9-octahydro-5a,9-dimethyl-1,2-epoxy-3H-cyclopent[c]inden-3-one
SpectraBase Compound ID HP1eYKfFe7B
InChI InChI=1S/C14H18O2/c1-8-4-3-6-13(2)7-5-9-10(15)11-12(16-11)14(8,9)13/h3,6,8-9,11-12H,4-5,7H2,1-2H3/t8-,9-,11?,12?,13+,14-/m0/s1
InChIKey HBMLFOSHBBJKGP-DGFAUWNGSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yh2TcqbVLG
Name rel-(3aR,5aS,9S,9aR)-1,2,3a,4,5,5a,8,9-octahydro-5a,9-dimethyl-1,2-epoxy-3H-cyclopent[c]inden-3-one
CAS Registry Number 113353-14-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-8-4-3-6-13(2)7-5-9-10(15)11-12(16-11)14(8,9)13/h3,6,8-9,11-12H,4-5,7H2,1-2H3/t8-,9-,11?,12?,13+,14-/m0/s1
InChIKey HBMLFOSHBBJKGP-DGFAUWNGSA-N
Molecular Weight 218.296 g/mol
SMILES C12C([C@@]34[C@@](C=CC[C@@]4(C)[H])(C)CC[C@]3(C1=O)[H])O2
SPLASH splash10-03xr-0940000000-323ded5f8630385d68d3
Source of Spectrum J-53-1627-24
Synonyms (1S,4aS,6aR,8aR,8bR)-1,4a-dimethyl-1,2,4a,5,6,6a,7a,8a-octahydro-7H-benzo[6,6a]pentaleno[1,2-b]oxiren-7-one
Wiley ID 1217999