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3-(2-Methylphenyl)-2-benzopyran-1-one
SpectraBase Compound ID EZx4INfANCb
InChI InChI=1S/C16H12O2/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16(17)18-15/h2-10H,1H3
InChIKey JPTZKJNNSHXKNP-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kz10W4qReoC
Name 3-(2-Methylphenyl)-2-benzopyran-1-one
Alternate Name(s) 3-(2-Methylphenyl)isochromen-1-one 3-(o-tolyl)isochromen-1-one 3-(o-tolyl)isocoumarin
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Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16(17)18-15/h2-10H,1H3
InChIKey JPTZKJNNSHXKNP-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C=1(OC(=O)c2c(C1)cccc2)c1c(C)cccc1
SPLASH splash10-0a4r-0290000000-9d6c18fc5d5f73f10ce8
Source of Spectrum D1-2003-1039-10
Wiley ID 1548307