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3-(4-Methoxy-3-methyl-phenyl)-3H-2-benzofuran-1-one
SpectraBase Compound ID KyYqiPEAyxC
InChI InChI=1S/C16H14O3/c1-10-9-11(7-8-14(10)18-2)15-12-5-3-4-6-13(12)16(17)19-15/h3-9,15H,1-2H3
InChIKey MKPKHHUVKXXMBM-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MWbgZcR3ng
Name 3-(4-Methoxy-3-methyl-phenyl)-3H-2-benzofuran-1-one
Alternate Name(s) 3-(4-Methoxy-3-methyl-phenyl)-3H-isobenzofuran-1-one 3-(4-Methoxy-3-methyl-phenyl)phthalide 3-(4-Methoxy-3-methylphenyl)-3H-isobenzofuran-1-one
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Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-10-9-11(7-8-14(10)18-2)15-12-5-3-4-6-13(12)16(17)19-15/h3-9,15H,1-2H3
InChIKey MKPKHHUVKXXMBM-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C1(OC(c2ccccc12)c1cc(C)c(cc1)OC)=O
SPLASH splash10-0udj-0390000000-649f9587d5ae194199de
Source of Spectrum J-60-6590-11
Wiley ID 1258096