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3-(4-Methoxyphenyl)-5,7-dimethyl-2H-chromen-2-one
SpectraBase Compound ID 2DjNh3kuwI8
InChI InChI=1S/C18H16O3/c1-11-8-12(2)15-10-16(18(19)21-17(15)9-11)13-4-6-14(20-3)7-5-13/h4-10H,1-3H3
InChIKey XHGRHIQZMQFHSZ-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GUWlEoLga0
Name 3-(4-Methoxyphenyl)-5,7-dimethyl-2H-chromen-2-one
Appearance Colorless needles
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Exact Mass 280.109944372 u
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-11-8-12(2)15-10-16(18(19)21-17(15)9-11)13-4-6-14(20-3)7-5-13/h4-10H,1-3H3
InChIKey XHGRHIQZMQFHSZ-UHFFFAOYSA-N
Instrument Name Micromass VG Quattro triple quadropole
Ionization Type EI
Literature Reference DOI 10.1002/anie.201805203
Reported Formula C18H16O3
SMILES COC1=CC=C(C=C1)C=1C(OC2=C(C1)C(=CC(=C2)C)C)=O
SPLASH splash10-001i-0090000000-7a58d58564fe87659608
Source of Spectrum ACI-57-SM9-1q (DOI: 10.1002/anie.201805203)
Wiley ID 1893111