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2-iodomethyl-7-methoxy-8-(prop-2'-enyl)-2,3-dihydroanthra[1,2-b]furan-6,11-dione
SpectraBase Compound ID Lo1PlbPDU1p
InChI InChI=1S/C21H17IO4/c1-3-4-11-5-7-14-16(20(11)25-2)18(23)15-8-6-12-9-13(10-22)26-21(12)17(15)19(14)24/h3-8,13H,9-10H2,1-2H3/b4-3+
InChIKey AUPZCIRKPAQNQR-ONEGZZNKSA-N
Mol Weight 460.27 g/mol
Molecular Formula C21H17IO4
Exact Mass 460.017154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKm4n2VAIuX
Name 2-iodomethyl-7-methoxy-8-(prop-2'-enyl)-2,3-dihydroanthra[1,2-b]furan-6,11-dione
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Formula C21H17IO4
InChI InChI=1S/C21H17IO4/c1-3-4-11-5-7-14-16(20(11)25-2)18(23)15-8-6-12-9-13(10-22)26-21(12)17(15)19(14)24/h3-8,13H,9-10H2,1-2H3/b4-3+
InChIKey AUPZCIRKPAQNQR-ONEGZZNKSA-N
Molecular Weight 460.267 g/mol
SMILES c12C(c3ccc(c(c3C(c2ccc2c1OC(CI)C2)=O)OC)\C=C\C)=O
SPLASH splash10-02wa-0000900000-3e6ed30938e97ee300a7
Source of Spectrum B-47-1561-0
Synonyms 2-(iodomethyl)-7-methoxy-8-[(1E)-1-propenyl]-2,3-dihydroanthra[1,2-b]furan-6,11-dione
Wiley ID 1390406