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(E)-ethyl 2-(hydroxy(o-tolyl)methyl)-3-iodoacrylate
SpectraBase Compound ID 3vXDfOrYFPI
InChI InChI=1S/C13H15IO3/c1-3-17-13(16)11(8-14)12(15)10-7-5-4-6-9(10)2/h4-8,12,15H,3H2,1-2H3/b11-8+
InChIKey ZXNITMLIGJGOEC-DHZHZOJOSA-N
Mol Weight 346.16 g/mol
Molecular Formula C13H15IO3
Exact Mass 346.006589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yayZN5Cmrt
Name (E)-ethyl 2-(hydroxy(o-tolyl)methyl)-3-iodoacrylate
Alternate Name(s) (E)-2-[hydroxy-(2-methylphenyl)methyl]-3-iodo-2-propenoic acid ethyl ester Ethyl (E)-2-[hydroxy-(2-methylphenyl)methyl]-3-iodoprop-2-enoate Ethyl (E)-2-[hydroxy(o-tolyl)methyl]-3-iodo-prop-2-enoate Ethyl (E)-3-iodanyl-2-[(2-methylphenyl)-oxidanyl-methyl]prop-2-enoate
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Formula C13H15IO3
InChI InChI=1S/C13H15IO3/c1-3-17-13(16)11(8-14)12(15)10-7-5-4-6-9(10)2/h4-8,12,15H,3H2,1-2H3/b11-8+
InChIKey ZXNITMLIGJGOEC-DHZHZOJOSA-N
Literature Reference DOI 10.1021/ol702134w
Molecular Weight 346.164 g/mol
SMILES OC(c1ccccc1C)\C(=C/I)C(OCC)=O
SPLASH splash10-0uk9-0490000000-cdef1317c7b6c4e56659
Source of Spectrum A1-9-5087/SMS2-3b
Wiley ID 1758726