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3-[3-(2-iodanylphenyl)propyl]-3H-benzo[g][2]benzofuran-1-one
SpectraBase Compound ID 5fUHXEdkuxW
InChI InChI=1S/C21H17IO2/c22-18-10-4-2-7-15(18)8-5-11-19-17-13-12-14-6-1-3-9-16(14)20(17)21(23)24-19/h1-4,6-7,9-10,12-13,19H,5,8,11H2
InChIKey NHEVQFQFJXWJMB-UHFFFAOYSA-N
Mol Weight 428.27 g/mol
Molecular Formula C21H17IO2
Exact Mass 428.027325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EppQGbBX9XB
Name 3-[3-(2-iodanylphenyl)propyl]-3H-benzo[g][2]benzofuran-1-one
Alternate Name(s) 3-[3-(2-iodophenyl)propyl]-3H-benzo[g]isobenzofuran-1-one 3-[3-(2-iodophenyl)propyl]-3H-benzo[g][2]benzofuran-1-one 3-[3-(2-iodophenyl)propyl]-3H-benz[g]isobenzofuran-1-one
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Formula C21H17IO2
InChI InChI=1S/C21H17IO2/c22-18-10-4-2-7-15(18)8-5-11-19-17-13-12-14-6-1-3-9-16(14)20(17)21(23)24-19/h1-4,6-7,9-10,12-13,19H,5,8,11H2
InChIKey NHEVQFQFJXWJMB-UHFFFAOYSA-N
Molecular Weight 428.269 g/mol
SMILES C1(c2c(ccc3c2cccc3)C(O1)CCCc1c(I)cccc1)=O
SPLASH splash10-0pc0-0902100000-b173979ce64161272029
Source of Spectrum KC-1993-829-21
Wiley ID 779365