John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9gAcJzk5Nqp SpectraBase Spectrum ID=6WNOi2pEmLA

(accessed ).
1,4,4a,9,9a,10-Hexahydro-2,3-dimethyl-9,10-(o-benzeno)anthracene-1,4-dione
SpectraBase Compound ID 9gAcJzk5Nqp
InChI InChI=1S/C22H18O2/c1-11-12(2)22(24)20-18-15-9-5-3-7-13(15)17(19(20)21(11)23)14-8-4-6-10-16(14)18/h3-10,17-20H,1-2H3/t17-,18+,19-,20+
InChIKey FIRFALDHDQHZPP-FGYAAKKASA-N
Mol Weight 314.38 g/mol
Molecular Formula C22H18O2
Exact Mass 314.13068 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 6WNOi2pEmLA
Name 1,4,4a,9,9a,10-Hexahydro-2,3-dimethyl-9,10-(o-benzeno)anthracene-1,4-dione
Alternate Name(s) 4,5-dimethylpentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-4,9,11,13,15,17,19-heptaene-3,6-dione
Classification Aryltetralin lignans
Comments Less than 3 mono-isotopic peaks
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Formula C22H18O2
InChI InChI=1S/C22H18O2/c1-11-12(2)22(24)20-18-15-9-5-3-7-13(15)17(19(20)21(11)23)14-8-4-6-10-16(14)18/h3-10,17-20H,1-2H3/t17-,18+,19-,20+
InChIKey FIRFALDHDQHZPP-FGYAAKKASA-N
SPLASH splash10-004i-0900000000-d36da27650693bbd0a20
Source of Spectrum U-1997-1957-9
SpectraBase Batch ID 1AkUbsCi0Ea
Wiley ID 770208