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2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-dione

View entire compound with spectra: 1 MS (GC)

2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-dione
SpectraBase Compound ID 5ThQHfnVpTW
InChI InChI=1S/C22H18O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,21-22H,7-10H2/t13-,14-,21+,22+/m0/s1
InChIKey KMQQODBKMMDEOT-HCIHMXRSSA-N
Mol Weight 410.38 g/mol
Molecular Formula C22H18O8
Exact Mass 410.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DKqNDvIIlB
Name 2,7-Bis[3,4-(methylenedioxy)phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-dione
Alternate Name(s) (1S,4aS,5S,8aS)-2,7-Bis[3,4-(methylenedioxy)-phenyl]-3,8-dioxobicyclo[4.4.0]decane-4,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O8
InChI InChI=1S/C22H18O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,21-22H,7-10H2/t13-,14-,21+,22+/m0/s1
InChIKey KMQQODBKMMDEOT-HCIHMXRSSA-N
Molecular Weight 410.378 g/mol
SMILES [C@@]12([C@@]([C@@](c3cc4OCOc4cc3)(OC(C2)=O)[H])(CC(O[C@@]1(c1cc2OCOc2cc1)[H])=O)[H])[H]
SPLASH splash10-03di-0090800000-65e4e61c53951daddfbf
Source of Spectrum J-60-3062-22
Wiley ID 1373601