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trans-4,7,7-Trimethyl-3-oxabicyclo[4.1.1.]octan-2-one
SpectraBase Compound ID FyOAI7zNCEy
InChI InChI=1S/C10H16O2/c1-6-4-7-5-8(9(11)12-6)10(7,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChIKey RLIUIANSNYOUTF-FXQIFTODSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtBPJgNowwk
Name trans-4,7,7-Trimethyl-3-oxabicyclo[4.1.1.]octan-2-one
Alternate Name(s) (1R,4S,6R)-4,7,7-Trimethyl-3-oxa-bicyclo[4.1.1]octan-2-one (1R,6S)-4,7,7-trimethyl-3-oxabicyclo[4.1.1]octan-2-one
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Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-6-4-7-5-8(9(11)12-6)10(7,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChIKey RLIUIANSNYOUTF-FXQIFTODSA-N
Molecular Weight 168.236 g/mol
SMILES C1([C@]2(C([C@](C2)(C[C@@](O1)(C)[H])[H])(C)C)[H])=O
SPLASH splash10-001i-9000000000-5ec6658cd8a5f50f386c
Source of Spectrum F-48-1938-17
Wiley ID 1165010