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7-Iodo-3-(4-methyl-5-oxo-2,5-dihydrofuran-2-yloxymethylene)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one diastereoisomer
SpectraBase Compound ID BsITa862syb
InChI InChI=1S/C17H13IO5/c1-8-4-14(22-16(8)19)21-7-13-12-5-9-2-3-10(18)6-11(9)15(12)23-17(13)20/h2-4,6-7,12,14-15H,5H2,1H3/b13-7+
InChIKey BRSARWZWZCWXQK-NTUHNPAUSA-N
Mol Weight 424.19 g/mol
Molecular Formula C17H13IO5
Exact Mass 423.980769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dN7HwGrg92
Name 7-Iodo-3-(4-methyl-5-oxo-2,5-dihydrofuran-2-yloxymethylene)-3,3a,4,8b-tetrahydroindeno[1,2-b]furan-2-one diastereoisomer
Alternate Name(s) (3E)-7-iodo-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one (3E)-7-iodo-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one (3E)-7-iodanyl-3-[(4-methyl-5-oxidanylidene-2H-furan-2-yl)oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
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Formula C17H13IO5
InChI InChI=1S/C17H13IO5/c1-8-4-14(22-16(8)19)21-7-13-12-5-9-2-3-10(18)6-11(9)15(12)23-17(13)20/h2-4,6-7,12,14-15H,5H2,1H3/b13-7+
InChIKey BRSARWZWZCWXQK-NTUHNPAUSA-N
Molecular Weight 424.190 g/mol
SMILES C12\C(C(OC2c2cc(I)ccc2C1)=O)=C/OC1OC(=O)C(=C1)C
SPLASH splash10-0002-9003000000-1ca5406a107fb667f089
Source of Spectrum KC-0-763-11
Wiley ID 787592