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4-[(4-iodo-3-furanyl)methyl]benzoic acid methyl ester
SpectraBase Compound ID B1mBK7h7Ddk
InChI InChI=1S/C13H11IO3/c1-16-13(15)10-4-2-9(3-5-10)6-11-7-17-8-12(11)14/h2-5,7-8H,6H2,1H3
InChIKey PCMCKJGQWVOILI-UHFFFAOYSA-N
Mol Weight 342.13 g/mol
Molecular Formula C13H11IO3
Exact Mass 341.975289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmaSWPeIPKq
Name 4-[(4-iodo-3-furanyl)methyl]benzoic acid methyl ester
Alternate Name(s) 4-[(4-iodo-3-furyl)methyl]benzoic acid methyl ester Methyl 4-[(4-iodanylfuran-3-yl)methyl]benzoate Methyl 4-[(4-iodo-3-furyl)methyl]benzoate Methyl 4-[(4-iodofuran-3-yl)methyl]benzoate
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Formula C13H11IO3
InChI InChI=1S/C13H11IO3/c1-16-13(15)10-4-2-9(3-5-10)6-11-7-17-8-12(11)14/h2-5,7-8H,6H2,1H3
InChIKey PCMCKJGQWVOILI-UHFFFAOYSA-N
Molecular Weight 342.132 g/mol
SMILES c1(c(coc1)I)Cc1ccc(C(=O)OC)cc1
SPLASH splash10-056u-0935000000-69f9da03c5844ab50aa2
Source of Spectrum U-1994-33-9
Wiley ID 765615