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Racemic Gadain [ 2-[(3,4-Methylenedioxy)benzylidene]-3-[(3,4-methylenedioxy)benzyl]-.gamma.-butyrolactone]
SpectraBase Compound ID 9gJsOvxmV2A
InChI InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6-
InChIKey CMJGAYUQSLJSCR-UUASQNMZSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrCK4FueLCj
Name Racemic Gadain [ 2-[(3,4-Methylenedioxy)benzylidene]-3-[(3,4-methylenedioxy)benzyl]-.gamma.-butyrolactone]
Alternate Name(s) (3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxolanone (3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2-one (3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
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Formula C20H16O6
InChI InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6-
InChIKey CMJGAYUQSLJSCR-UUASQNMZSA-N
Molecular Weight 352.342 g/mol
SMILES C1(\C(C(CO1)Cc1cc2OCOc2cc1)=C/c1cc2OCOc2cc1)=O
SPLASH splash10-000i-2911000000-02e5d08adc74438de1c2
Source of Spectrum SO-0-1065-6
Wiley ID 874816