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2-[(E)-3-iodoallyl]-6-methoxy-benzoic acid methyl ester
SpectraBase Compound ID 9nrNt8WnWU3
InChI InChI=1S/C12H13IO3/c1-15-10-7-3-5-9(6-4-8-13)11(10)12(14)16-2/h3-5,7-8H,6H2,1-2H3/b8-4+
InChIKey ZENQLONROXFMHR-XBXARRHUSA-N
Mol Weight 332.14 g/mol
Molecular Formula C12H13IO3
Exact Mass 331.990939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X7fXui2Xw
Name 2-[(E)-3-iodoallyl]-6-methoxy-benzoic acid methyl ester
Alternate Name(s) 2-[(E)-3-iodoprop-2-enyl]-6-methoxybenzoic acid methyl ester Methyl 2-[(E)-3-iodanylprop-2-enyl]-6-methoxy-benzoate Methyl 2-[(E)-3-iodoallyl]-6-methoxy-benzoate Methyl 2-[(E)-3-iodoprop-2-enyl]-6-methoxybenzoate
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Formula C12H13IO3
InChI InChI=1S/C12H13IO3/c1-15-10-7-3-5-9(6-4-8-13)11(10)12(14)16-2/h3-5,7-8H,6H2,1-2H3/b8-4+
InChIKey ZENQLONROXFMHR-XBXARRHUSA-N
Molecular Weight 332.137 g/mol
SMILES C(c1c(cccc1OC)C\C=C\I)(=O)OC
SPLASH splash10-06di-1921000000-9398aac276a0d0403941
Source of Spectrum F-68-8132-5
Wiley ID 1573631