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(E)-ethyl 2-(hydroxy(phenyl)methyl)-3-iodoacrylate
SpectraBase Compound ID IDbizdT7IGC
InChI InChI=1S/C12H13IO3/c1-2-16-12(15)10(8-13)11(14)9-6-4-3-5-7-9/h3-8,11,14H,2H2,1H3/b10-8+
InChIKey KAXVPHPIXVBRFN-CSKARUKUSA-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 LVladWMFVyN
Name (E)-ethyl 2-(hydroxy(phenyl)methyl)-3-iodoacrylate
Alternate Name(s) (E)-2-[hydroxy(phenyl)methyl]-3-iodo-2-propenoic acid ethyl ester Ethyl (E)-2-[hydroxy(phenyl)methyl]-3-iodoprop-2-enoate Ethyl (E)-2-[hydroxy(phenyl)methyl]-3-iodo-prop-2-enoate Ethyl (E)-3-iodanyl-2-[oxidanyl(phenyl)methyl]prop-2-enoate
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Formula C12H13IO3
InChI InChI=1S/C12H13IO3/c1-2-16-12(15)10(8-13)11(14)9-6-4-3-5-7-9/h3-8,11,14H,2H2,1H3/b10-8+
InChIKey KAXVPHPIXVBRFN-CSKARUKUSA-N
Literature Reference DOI 10.1021/ol702134w
Molecular Weight 332.137 g/mol
SMILES OC(\C(=C/I)C(OCC)=O)c1ccccc1
SPLASH splash10-06rl-3900000000-0664175152cdcb81d8f8
Source of Spectrum A1-9-5087/SMS2-3a
Wiley ID 1758725