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L-Tyrosine, O-[4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-3,5-diiodophenyl]-N-(2,2 ,3,3,4,4,4-heptafluoro-1-oxobutyl)-3,5-diiodo-, methyl ester
SpectraBase Compound ID Cc1pPABDaXL
InChI InChI=1S/C24H11F14I4NO6/c1-47-16(44)13(43-17(45)19(25,26)21(29,30)23(33,34)35)4-7-2-9(39)14(10(40)3-7)48-8-5-11(41)15(12(42)6-8)49-18(46)20(27,28)22(31,32)24(36,37)38/h2-3,5-6,13H,4H2,1H3,(H,43,45)
InChIKey GIJRUCRJYUEZFC-UHFFFAOYSA-N
Mol Weight 1182.95 g/mol
Molecular Formula C24H11F14I4NO6
Exact Mass 1182.654161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yYEBbomuuy
Name L-Tyrosine, O-[4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-3,5-diiodophenyl]-N-(2,2 ,3,3,4,4,4-heptafluoro-1-oxobutyl)-3,5-diiodo-, methyl ester
CAS Registry Number 63238-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H11F14I4NO6
InChI InChI=1S/C24H11F14I4NO6/c1-47-16(44)13(43-17(45)19(25,26)21(29,30)23(33,34)35)4-7-2-9(39)14(10(40)3-7)48-8-5-11(41)15(12(42)6-8)49-18(46)20(27,28)22(31,32)24(36,37)38/h2-3,5-6,13H,4H2,1H3,(H,43,45)
InChIKey GIJRUCRJYUEZFC-UHFFFAOYSA-N
Molecular Weight 1182.949 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(Cc1cc(c(Oc2cc(c(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)c(c2)I)I)c(c1)I)I)C(=O)OC
SPLASH splash10-00ea-1610202439-0f51fe841983e0265791
Source of Spectrum E-49-1308-0
Synonyms 3,3',5,5'-Tetraiodothyronine 4-{4-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)-3-methoxy-3-oxopropyl]-2,6-diiodophenoxy}-2,6-diiodophenyl 2,2,3,3,4,4,4-heptafluorobutanoate N,O-bis(heptafluorobutyryl)thyroxine, methyl ester
Wiley ID 1418683