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3-[2-(4-methoxyphenyl)ethyl]-2-benzopyran-1-one
SpectraBase Compound ID 5UbRITik0mt
InChI InChI=1S/C18H16O3/c1-20-15-9-6-13(7-10-15)8-11-16-12-14-4-2-3-5-17(14)18(19)21-16/h2-7,9-10,12H,8,11H2,1H3
InChIKey HHHJNLOIRQYLPP-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 ESCh6dGuhoT
Name 3-[2-(4-methoxyphenyl)ethyl]-2-benzopyran-1-one
Alternate Name(s) 3-[2-(4-methoxyphenyl)ethyl]isochromen-1-one 3-[2-(4-Methoxyphenyl)ethyl]isocoumarin
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Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-20-15-9-6-13(7-10-15)8-11-16-12-14-4-2-3-5-17(14)18(19)21-16/h2-7,9-10,12H,8,11H2,1H3
InChIKey HHHJNLOIRQYLPP-UHFFFAOYSA-N
Molecular Weight 280.323 g/mol
SMILES C1(=O)OC(=Cc2ccccc12)CCc1ccc(cc1)OC
SPLASH splash10-014i-0930000000-c095ad5a8edfab784d5a
Source of Spectrum Y1-37-481-2
Wiley ID 1527373