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3-(5-iodanylpentyl)-6-methoxy-3H-2-benzofuran-1-one
SpectraBase Compound ID 8DYwJBNX2UZ
InChI InChI=1S/C14H17IO3/c1-17-10-6-7-11-12(9-10)14(16)18-13(11)5-3-2-4-8-15/h6-7,9,13H,2-5,8H2,1H3
InChIKey BIWVZLJGIIWIET-UHFFFAOYSA-N
Mol Weight 360.19 g/mol
Molecular Formula C14H17IO3
Exact Mass 360.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71zyEbvKTgT
Name 3-(5-iodanylpentyl)-6-methoxy-3H-2-benzofuran-1-one
Alternate Name(s) 3-(5-iodopentyl)-6-methoxy-3H-2-benzofuran-1-one 3-(5-iodopentyl)-6-methoxy-3H-isobenzofuran-1-one 3-(5-iodopentyl)-6-methoxy-phthalide
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Formula C14H17IO3
InChI InChI=1S/C14H17IO3/c1-17-10-6-7-11-12(9-10)14(16)18-13(11)5-3-2-4-8-15/h6-7,9,13H,2-5,8H2,1H3
InChIKey BIWVZLJGIIWIET-UHFFFAOYSA-N
Molecular Weight 360.191 g/mol
SMILES C1(c2c(ccc(c2)OC)C(O1)CCCCCI)=O
SPLASH splash10-03di-0902000000-45c5134e11c78964da42
Source of Spectrum F-47-5447-7
Wiley ID 1348012