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9-(4-Methylphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID 3r55sXTaWKD
InChI InChI=1S/C20H20O3/c1-12-8-10-13(11-9-12)18-19-14(21)4-2-6-16(19)23-17-7-3-5-15(22)20(17)18/h8-11,18H,2-7H2,1H3
InChIKey PLSVXUNGVSQDOE-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjufCq59YoR
Name 9-(4-Methylphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Alternate Name(s) 9-(4-Methylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione 9-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone
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Formula C20H20O3
InChI InChI=1S/C20H20O3/c1-12-8-10-13(11-9-12)18-19-14(21)4-2-6-16(19)23-17-7-3-5-15(22)20(17)18/h8-11,18H,2-7H2,1H3
InChIKey PLSVXUNGVSQDOE-UHFFFAOYSA-N
Molecular Weight 308.377 g/mol
SMILES C1(C=2C(CCCC2OC=2CCCC(C12)=O)=O)c1ccc(cc1)C
SPLASH splash10-066u-0093000000-86698277c54504c809a0
Source of Spectrum B-60-148-3
Wiley ID 1583779