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L-Tyrosine, O-[4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-3-iodophenyl]-N-(2,2,3,3 ,4,4,4-heptafluoro-1-oxobutyl)-3,5-diiodo-, methyl ester

View entire compound with spectra: 1 MS (GC)

L-Tyrosine, O-[4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-3-iodophenyl]-N-(2,2,3,3 ,4,4,4-heptafluoro-1-oxobutyl)-3,5-diiodo-, methyl ester
SpectraBase Compound ID J5QgdHEppa9
InChI InChI=1S/C24H12F14I3NO6/c1-46-16(43)13(42-17(44)19(25,26)21(29,30)23(33,34)35)6-8-4-11(40)15(12(41)5-8)47-9-2-3-14(10(39)7-9)48-18(45)20(27,28)22(31,32)24(36,37)38/h2-5,7,13H,6H2,1H3,(H,42,44)
InChIKey FSWFDBYACYFWMM-UHFFFAOYSA-N
Mol Weight 1057.05 g/mol
Molecular Formula C24H12F14I3NO6
Exact Mass 1056.757516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qVyppkK5PM
Name L-Tyrosine, O-[4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-3-iodophenyl]-N-(2,2,3,3 ,4,4,4-heptafluoro-1-oxobutyl)-3,5-diiodo-, methyl ester
Alternate Name(s) 3,3',5-Triiodothyronine 4-{4-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)-3-methoxy-3-oxopropyl]-2,6-diiodophenoxy}-2-iodophenyl 2,2,3,3,4,4,4-heptafluorobutanoate N,O-bis(heptafluorobutyryl)-3,5,3'-triiodothyronine, methyl ester
CAS Registry Number 63238-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H12F14I3NO6
InChI InChI=1S/C24H12F14I3NO6/c1-46-16(43)13(42-17(44)19(25,26)21(29,30)23(33,34)35)6-8-4-11(40)15(12(41)5-8)47-9-2-3-14(10(39)7-9)48-18(45)20(27,28)22(31,32)24(36,37)38/h2-5,7,13H,6H2,1H3,(H,42,44)
InChIKey FSWFDBYACYFWMM-UHFFFAOYSA-N
Molecular Weight 1057.052 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(C(=O)OC)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc1
SPLASH splash10-052f-7011041591-dc8bdfd7301a11aff3f9
Source of Spectrum E-49-1307-0
Wiley ID 1418530