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ethyl 5-(3-isobutyrylphenyl)furan-2-carboxylate
SpectraBase Compound ID KNGIWUipTOY
InChI InChI=1S/C17H18O4/c1-4-20-17(19)15-9-8-14(21-15)12-6-5-7-13(10-12)16(18)11(2)3/h5-11H,4H2,1-3H3
InChIKey QKLKCDUKTYMZBS-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIWJxlyXGdK
Name ethyl 5-(3-isobutyrylphenyl)furan-2-carboxylate
Appearance Brown yellow oil
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Exact Mass 286.120509056 u
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-4-20-17(19)15-9-8-14(21-15)12-6-5-7-13(10-12)16(18)11(2)3/h5-11H,4H2,1-3H3
InChIKey QKLKCDUKTYMZBS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605139
Quality 112
Reported Formula C17H18O4
SMILES C(C)OC(=O)C=1OC(=CC1)C1=CC(=CC=C1)C(C(C)C)=O
SPLASH splash10-000l-0190000000-1b6dc9749dc5f3183f5f
Source of Spectrum QE-23-SM25-4n (DOI: 10.1002/chem.201605139)
Thin-Layer Chromatography 0.19 (SiO2, i-hexane/EtOAc, 19:1)
Wiley ID 1903812