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4-(3'-Iodo-4'-hydroxyphenoxy)-3,5-diiodo-.alpha.-methylphenylacetic acid (.alpha.-methyl-3,5,3'-triiodothyroacetic acid, m-triac VII)

View entire compound with spectra: 1 MS (GC)

4-(3'-Iodo-4'-hydroxyphenoxy)-3,5-diiodo-.alpha.-methylphenylacetic acid (.alpha.-methyl-3,5,3'-triiodothyroacetic acid, m-triac VII)
SpectraBase Compound ID 6YoOjKjKd2j
InChI InChI=1S/C15H11I3O4/c1-7(15(20)21)8-4-11(17)14(12(18)5-8)22-9-2-3-13(19)10(16)6-9/h2-7,19H,1H3,(H,20,21)
InChIKey LEISBWPHJMCNNG-UHFFFAOYSA-N
Mol Weight 635.96 g/mol
Molecular Formula C15H11I3O4
Exact Mass 635.779144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3xFEECtb2W
Name 4-(3'-Iodo-4'-hydroxyphenoxy)-3,5-diiodo-.alpha.-methylphenylacetic acid (.alpha.-methyl-3,5,3'-triiodothyroacetic acid, m-triac VII)
Alternate Name(s) 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid 2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid 2-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid
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Formula C15H11I3O4
InChI InChI=1S/C15H11I3O4/c1-7(15(20)21)8-4-11(17)14(12(18)5-8)22-9-2-3-13(19)10(16)6-9/h2-7,19H,1H3,(H,20,21)
InChIKey LEISBWPHJMCNNG-UHFFFAOYSA-N
Molecular Weight 635.962 g/mol
SMILES OC(C(c1cc(c(Oc2ccc(c(c2)I)O)c(c1)I)I)C)=O
SPLASH splash10-01ti-3921013000-135e741fe687468d615e
Source of Spectrum F2-35-551-0
Wiley ID 1574228