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.beta.-[4-(3'-iodo-4'-hydroxyphenoxy)-3,5-diiodophenyl].alpha.-methylpropionic acid (.alpha.-methyl-3,5,3'-triiodothyropropionic acid, m-triprop XI)
SpectraBase Compound ID Ay16Ef1Ts2u
InChI InChI=1S/C16H13I3O4/c1-8(16(21)22)4-9-5-12(18)15(13(19)6-9)23-10-2-3-14(20)11(17)7-10/h2-3,5-8,20H,4H2,1H3,(H,21,22)
InChIKey CNQMAXYHMXMACY-UHFFFAOYSA-N
Mol Weight 649.99 g/mol
Molecular Formula C16H13I3O4
Exact Mass 649.794794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLr0J3kp5tO
Name .beta.-[4-(3'-iodo-4'-hydroxyphenoxy)-3,5-diiodophenyl].alpha.-methylpropionic acid (.alpha.-methyl-3,5,3'-triiodothyropropionic acid, m-triprop XI)
Alternate Name(s) 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-methylpropanoic acid 3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-2-methyl-propanoic acid 3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]-2-methyl-propanoic acid
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Formula C16H13I3O4
InChI InChI=1S/C16H13I3O4/c1-8(16(21)22)4-9-5-12(18)15(13(19)6-9)23-10-2-3-14(20)11(17)7-10/h2-3,5-8,20H,4H2,1H3,(H,21,22)
InChIKey CNQMAXYHMXMACY-UHFFFAOYSA-N
Molecular Weight 649.989 g/mol
SMILES OC(C(Cc1cc(c(Oc2ccc(c(c2)I)O)c(c1)I)I)C)=O
SPLASH splash10-004i-2912222000-818742439ed84eb670ac
Source of Spectrum F2-35-551-0
Wiley ID 1574227