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3-(4-(tert-Butyl)phenyl)-6-methyl-4H-chromen-4-one
SpectraBase Compound ID 1Cy3keX708x
InChI InChI=1S/C20H20O2/c1-13-5-10-18-16(11-13)19(21)17(12-22-18)14-6-8-15(9-7-14)20(2,3)4/h5-12H,1-4H3
InChIKey XTIKQTFEPDLREU-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AkVw86iW2
Name 3-(4-(tert-Butyl)phenyl)-6-methyl-4H-chromen-4-one
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2
InChI InChI=1S/C20H20O2/c1-13-5-10-18-16(11-13)19(21)17(12-22-18)14-6-8-15(9-7-14)20(2,3)4/h5-12H,1-4H3
InChIKey XTIKQTFEPDLREU-UHFFFAOYSA-N
Instrument Name GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02294
Molecular Weight 292.378 g/mol
SMILES c1c(ccc(c1)C1=COc2c(C1=O)cc(cc2)C)C(C)(C)C
SPLASH splash10-004i-0090000000-fc379ab56d3e588d6dcb
Source of Spectrum JOC-86-4907-5i
Thin-Layer Chromatography Rf = 0.7 (Hex:EtAc, 3:1)
Wiley ID 1867947