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

View entire compound with spectra: 1 MS (GC)

L-Tyrosine, 3,5-dichloro-O-[3,5-dichloro-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)phenyl]-N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, methyl ester
SpectraBase Compound ID 3KZeeqDEcTM
InChI InChI=1S/C24H11Cl4F14NO6/c1-7(44)47-14(43-17(45)19(29,30)21(33,34)23(37,38)39)4-8-2-10(25)15(11(26)3-8)48-9-5-12(27)16(13(28)6-9)49-18(46)20(31,32)22(35,36)24(40,41)42/h2-3,5-6,14H,4H2,1H3,(H,43,45)
InChIKey NPOLUXGZFKQTPB-UHFFFAOYSA-N
Mol Weight 817.1 g/mol
Molecular Formula C24H11Cl4F14NO6
Exact Mass 814.911692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKJgoIkCu3S
Name L-Tyrosine, 3,5-dichloro-O-[3,5-dichloro-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)phenyl]-N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, methyl ester
CAS Registry Number 63238-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H11Cl4F14NO6
InChI InChI=1S/C24H11Cl4F14NO6/c1-7(44)47-14(43-17(45)19(29,30)21(33,34)23(37,38)39)4-8-2-10(25)15(11(26)3-8)48-9-5-12(27)16(13(28)6-9)49-18(46)20(31,32)22(35,36)24(40,41)42/h2-3,5-6,14H,4H2,1H3,(H,43,45)
InChIKey NPOLUXGZFKQTPB-UHFFFAOYSA-N
Molecular Weight 817.143 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)Cl)Cl)c(c1)Cl)Cl)OC(=O)C
SPLASH splash10-0kai-0132967020-618c753c51519d1efdf7
Source of Spectrum E-49-1309-0
Synonyms 3,3',5,5'-Tetrachlorothyronine 4-{4-[2-(acetyloxy)-2-(2,2,3,3,4,4,4-heptafluorobutanamido)ethyl]-2,6-dichlorophenoxy}-2,6-dichlorophenyl 2,2,3,3,4,4,4-heptafluorobutanoate
Wiley ID 1417373