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Tricyclo[4.3.1.1(3,8)]undecan-4-one-5,5-d2, 7-hydroxy-, (1.alpha.,3.beta.,6.alpha.,7.alpha.,8.beta.)-
SpectraBase Compound ID C4uhiuIonPI
InChI InChI=1S/C11H16O2/c12-10-5-9-3-6-1-7(10)4-8(2-6)11(9)13/h6-9,11,13H,1-5H2/i5D2
InChIKey JKHOMUIXNBLLHK-BFWBPSQCSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H142D2O2
Exact Mass 182.127583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9gwNNGKaoG
Name Tricyclo[4.3.1.1(3,8)]undecan-4-one-5,5-d2, 7-hydroxy-, (1.alpha.,3.beta.,6.alpha.,7.alpha.,8.beta.)-
CAS Registry Number 57458-53-4
Comments Less than 3 mono-isotopic peaks
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Formula C11H14D2O2
InChI InChI=1S/C11H16O2/c12-10-5-9-3-6-1-7(10)4-8(2-6)11(9)13/h6-9,11,13H,1-5H2/i5D2
InChIKey JKHOMUIXNBLLHK-BFWBPSQCSA-N
Molecular Weight 182.259 g/mol
SMILES OC1C2CC3C(C(C1CC(C2)C3)([2D])[2D])=O
SPLASH splash10-001i-0900000000-1e5ef08ea6feb8b5129e
Source of Spectrum B-28-2261-0
Synonyms 5,5-Dideutero-exo-7-hydroxytricyclo[4,3,1,1(3,8)]undecan-4-one
Wiley ID 1176680