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(2Z)-3-hydroxy-2-(iodomethylidene)-3-phenylbutanoic acid methyl ester
SpectraBase Compound ID HGkUyVoYLNc
InChI InChI=1S/C12H13IO3/c1-12(15,9-6-4-3-5-7-9)10(8-13)11(14)16-2/h3-8,15H,1-2H3/b10-8+
InChIKey DSCCNQQPDOCAEP-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 7nP1Zc9c2kT
Name (2Z)-3-hydroxy-2-(iodomethylidene)-3-phenylbutanoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C12H13IO3
InChI InChI=1S/C12H13IO3/c1-12(15,9-6-4-3-5-7-9)10(8-13)11(14)16-2/h3-8,15H,1-2H3/b10-8+
InChIKey DSCCNQQPDOCAEP-CSKARUKUSA-N
Molecular Weight 332.137 g/mol
SMILES OC(\C(C(=O)OC)=C\I)(c1ccccc1)C
SPLASH splash10-00di-0902000000-10e55a6180dd70d5891c
Source of Spectrum SO-0-587-3
Synonyms (Z)-2-(1-hydroxy-1-phenyl-ethyl)-3-iodo-acrylic acid methyl ester methyl (2Z)-2-(iodanylmethylidene)-3-oxidanyl-3-phenyl-butanoate methyl (2Z)-3-hydroxy-2-(iodomethylene)-3-phenyl-butanoate methyl (2Z)-3-hydroxy-2-(iodomethylidene)-3-phenylbutanoate
Wiley ID 873681