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Ethanone, 1-(3-furanyl)-2-(2-hydroxy-2,6,6-trimethylcyclohexyl)-, trans-(.+-.)-

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Ethanone, 1-(3-furanyl)-2-(2-hydroxy-2,6,6-trimethylcyclohexyl)-, trans-(.+-.)-
SpectraBase Compound ID IDiYm01JPRY
InChI InChI=1S/C15H22O3/c1-14(2)6-4-7-15(3,17)13(14)9-12(16)11-5-8-18-10-11/h5,8,10,13,17H,4,6-7,9H2,1-3H3/t13?,15-/m1/s1
InChIKey WJIVUUCKKWEPLH-AWKYBWMHSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZnVESHGFOL
Name Ethanone, 1-(3-furanyl)-2-(2-hydroxy-2,6,6-trimethylcyclohexyl)-, trans-(.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)6-4-7-15(3,17)13(14)9-12(16)11-5-8-18-10-11/h5,8,10,13,17H,4,6-7,9H2,1-3H3/t13?,15-/m1/s1
InChIKey WJIVUUCKKWEPLH-AWKYBWMHSA-N
Molecular Weight 250.338 g/mol
SMILES C1(C(CC2[C@](O)(CCCC2(C)C)C)=O)=COC=C1