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2,2-Dimethyl-2,2a.beta.,3,4,4a.alpha.,5,7a.alpha.,7b.beta.-octahydro-1H-cyclobut[e]inden-5-one
SpectraBase Compound ID Jpecn3FeBoh
InChI InChI=1S/C13H18O/c1-13(2)7-10-8-4-6-12(14)9(8)3-5-11(10)13/h4,6,8-11H,3,5,7H2,1-2H3/t8-,9-,10+,11-/m0/s1
InChIKey VWIGQRDYHKXTHK-MMWGEVLESA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZmsOUMiqhR
Name 2,2-Dimethyl-2,2a.beta.,3,4,4a.alpha.,5,7a.alpha.,7b.beta.-octahydro-1H-cyclobut[e]inden-5-one
CAS Registry Number 117360-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-13(2)7-10-8-4-6-12(14)9(8)3-5-11(10)13/h4,6,8-11H,3,5,7H2,1-2H3/t8-,9-,10+,11-/m0/s1
InChIKey VWIGQRDYHKXTHK-MMWGEVLESA-N
Molecular Weight 190.286 g/mol
SMILES [C@]12([C@]3(C=CC([C@@]3([H])CC[C@]1([H])C(C2)(C)C)=O)[H])[H]
SPLASH splash10-002o-9400000000-d5a1f807d97b19a3bf41
Source of Spectrum H-71-191-0
Synonyms (2aS,4aS,7aR,7bR)-2,2-dimethyl-1,2,2a,3,4,4a,7a,7b-octahydro-5H-cyclobuta[e]inden-5-one
Wiley ID 1187021