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(3aS*,4R*,7aS*)-4,7a-Dimethyl-4-ethylhexahydrobenzofuran-2(3H)-one
SpectraBase Compound ID LeqpXvha0hs
InChI InChI=1S/C11H18O2/c1-3-11(2)6-4-5-9-8(11)7-10(12)13-9/h8-9H,3-7H2,1-2H3/t8-,9+,11-/m1/s1
InChIKey ARSPAFXUYYYNPJ-WCABBAIRSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20vtgWQS6R7
Name (3aS*,4R*,7aS*)-4,7a-Dimethyl-4-ethylhexahydrobenzofuran-2(3H)-one
Appearance Oil
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Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-3-11(2)6-4-5-9-8(11)7-10(12)13-9/h8-9H,3-7H2,1-2H3/t8-,9+,11-/m1/s1
InChIKey ARSPAFXUYYYNPJ-WCABBAIRSA-N
Instrument Name Agilent 7890A-5975C or Agilent 6890-5973N
Ionization Type EI
Molecular Weight 182.263 g/mol
SMILES [C@@]1(CCC[C@]2([C@]1(CC(O2)=O)[H])[H])(CC)C
SPLASH splash10-001i-4900000000-b3569fee034ef74a0c06
Source of Spectrum WO2017184870A1
Wiley ID 1855496