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3-Ethoxy-3,4-dihydrospiro[[2]benzopyran-1,1'-cyclohexan]-4'-one
SpectraBase Compound ID KrBPwzoWfOP
InChI InChI=1S/C16H20O3/c1-2-18-15-11-12-5-3-4-6-14(12)16(19-15)9-7-13(17)8-10-16/h3-6,15H,2,7-11H2,1H3
InChIKey AIQLBULFGBYQLO-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bF3NSc7LgP
Name 3-Ethoxy-3,4-dihydrospiro[[2]benzopyran-1,1'-cyclohexan]-4'-one
Appearance Colorless solid
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Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-2-18-15-11-12-5-3-4-6-14(12)16(19-15)9-7-13(17)8-10-16/h3-6,15H,2,7-11H2,1H3
InChIKey AIQLBULFGBYQLO-UHFFFAOYSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b00449
Molecular Weight 260.333 g/mol
SMILES c1cc2c(cc1)C1(OC(C2)OCC)CCC(CC1)=O
SPLASH splash10-0pb9-0990000000-0226a1fb68495328ad06
Source of Spectrum AF-62-SM8-6
Thin-Layer Chromatography Rf = 0.09 (cyclohexane/ethyl acetate, 9:1)
Wiley ID 1873903