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N-Acetyl-3,5,3',5'-tetraiodo-thyronine methyl ester

View entire compound with spectra: 1 NMR

N-Acetyl-3,5,3',5'-tetraiodo-thyronine methyl ester
SpectraBase Compound ID JfBOy6jq0ZE
InChI InChI=1S/C18H15I4NO5/c1-8(24)23-15(18(26)27-2)5-9-3-13(21)17(14(22)4-9)28-10-6-11(19)16(25)12(20)7-10/h3-4,6-7,15,25H,5H2,1-2H3,(H,23,24)
InChIKey ABXXPONRZYBCHY-UHFFFAOYSA-N
Mol Weight 832.94 g/mol
Molecular Formula C18H15I4NO5
Exact Mass 832.712903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqN4q65gpSX
Name N-Acetyl-3,5,3',5'-tetraiodo-thyronine methyl ester
CAS Registry Number 78342-15-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H15I4NO5
InChI InChI=1S/C18H15I4NO5/c1-8(24)23-15(18(26)27-2)5-9-3-13(21)17(14(22)4-9)28-10-6-11(19)16(25)12(20)7-10/h3-4,6-7,15,25H,5H2,1-2H3,(H,23,24)
InChIKey ABXXPONRZYBCHY-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P.H. Mazzocchi, H.L. Ammon, Org. Magn. Resonance 11, 143 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6