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3-(4-Methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]-2-benzopyran-1-one
SpectraBase Compound ID B1yK7XB60cP
InChI InChI=1S/C25H18O4/c1-27-19-12-7-17(8-13-19)9-16-22-21-5-3-4-6-23(21)25(26)29-24(22)18-10-14-20(28-2)15-11-18/h3-8,10-15H,1-2H3
InChIKey PVDWNNIEIVKILA-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C25H18O4
Exact Mass 382.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19xpvN0cN2A
Name 3-(4-Methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]-2-benzopyran-1-one
Alternate Name(s) 3-(4-Methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isochromen-1-one 3-(4-Methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isocoumarin
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Formula C25H18O4
InChI InChI=1S/C25H18O4/c1-27-19-12-7-17(8-13-19)9-16-22-21-5-3-4-6-23(21)25(26)29-24(22)18-10-14-20(28-2)15-11-18/h3-8,10-15H,1-2H3
InChIKey PVDWNNIEIVKILA-UHFFFAOYSA-N
Molecular Weight 382.415 g/mol
SMILES C1(=C(OC(c2c1cccc2)=O)c1ccc(cc1)OC)C#Cc1ccc(cc1)OC
SPLASH splash10-001i-0269000000-ef14244c2dabc3afd8ba
Source of Spectrum J-60-3716-8
Wiley ID 1360790