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O-(p-Tolyl)-4-oxo-4H-chromene-3-carboxylate
SpectraBase Compound ID 1ShYCderGYc
InChI InChI=1S/C17H12O4/c1-11-6-8-12(9-7-11)21-17(19)14-10-20-15-5-3-2-4-13(15)16(14)18/h2-10H,1H3
InChIKey SKTSYVUGFSPLCJ-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C17H12O4
Exact Mass 280.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COcIS4732Q8
Name O-(p-Tolyl)-4-oxo-4H-chromene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O4
InChI InChI=1S/C17H12O4/c1-11-6-8-12(9-7-11)21-17(19)14-10-20-15-5-3-2-4-13(15)16(14)18/h2-10H,1H3
InChIKey SKTSYVUGFSPLCJ-UHFFFAOYSA-N
Instrument Name VG AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.6b00527
Molecular Weight 280.279 g/mol
SMILES c1cc2c(cc1)C(C(=CO2)C(Oc1ccc(cc1)C)=O)=O
SPLASH splash10-00di-0920000000-51983d771a8cf9311f3d
Source of Spectrum AF-59-5889-30
Wiley ID 1848851