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3-Methoxy-3H-spiro[[2]-benzofuran-1,1'-cyclohexan]-4'-one
SpectraBase Compound ID 1BExQ3jPhhT
InChI InChI=1S/C14H16O3/c1-16-13-11-4-2-3-5-12(11)14(17-13)8-6-10(15)7-9-14/h2-5,13H,6-9H2,1H3
InChIKey IGQLVDDTTUVCAF-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pA3uDZv1Uu
Name 3-Methoxy-3H-spiro[[2]-benzofuran-1,1'-cyclohexan]-4'-one
Appearance Colorless solid
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-16-13-11-4-2-3-5-12(11)14(17-13)8-6-10(15)7-9-14/h2-5,13H,6-9H2,1H3
InChIKey IGQLVDDTTUVCAF-UHFFFAOYSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b00449
Molecular Weight 232.279 g/mol
Reported Formula C14H16O3
SMILES c1ccc2C3(CCC(=O)CC3)OC(OC)c2c1
SPLASH splash10-004i-0910000000-9c17daeae8789e02f748
Source of Spectrum AF-62-SM14-13
Thin-Layer Chromatography Rf = 0.20 (cyclohexane/ethyl acetate, 6:1)
Wiley ID 1873893