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(E)-ethyl 2-((4-bromophenyl)(hydroxy)methyl)-3-iodoacrylate
SpectraBase Compound ID AeHhmy0LSpx
InChI InChI=1S/C12H12BrIO3/c1-2-17-12(16)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-7,11,15H,2H2,1H3/b10-7+
InChIKey VHWGSVIEUVSKMF-JXMROGBWSA-N
Mol Weight 411.03 g/mol
Molecular Formula C12H12BrIO3
Exact Mass 409.901452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EssROlVOsrf
Name (E)-ethyl 2-((4-bromophenyl)(hydroxy)methyl)-3-iodoacrylate
Alternate Name(s) (E)-2-[(4-bromophenyl)-hydroxymethyl]-3-iodo-2-propenoic acid ethyl ester Ethyl (E)-2-[(4-bromophenyl)-hydroxymethyl]-3-iodoprop-2-enoate Ethyl (E)-2-[(4-bromophenyl)-hydroxy-methyl]-3-iodo-prop-2-enoate Ethyl (E)-2-[(4-bromophenyl)-oxidanyl-methyl]-3-iodanyl-prop-2-enoate
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Formula C12H12BrIO3
InChI InChI=1S/C12H12BrIO3/c1-2-17-12(16)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-7,11,15H,2H2,1H3/b10-7+
InChIKey VHWGSVIEUVSKMF-JXMROGBWSA-N
Literature Reference DOI 10.1021/ol702134w
Molecular Weight 411.033 g/mol
SMILES OC(c1ccc(cc1)Br)\C(=C/I)C(OCC)=O
SPLASH splash10-0a4i-0190000000-00614266881884f24b72
Source of Spectrum A1-9-5087/SMS3-3g
Wiley ID 1758728