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N-ACETYL-3,5-DIIODOTYROSINE, METHYL ESTER
SpectraBase Compound ID J2LOkTJ0Ry8
InChI InChI=1S/C12H13I2NO4/c1-6(16)15-10(12(18)19-2)5-7-3-8(13)11(17)9(14)4-7/h3-4,10,17H,5H2,1-2H3,(H,15,16)
InChIKey VXZKQTLOAVKBCG-UHFFFAOYSA-N
Mol Weight 489.05 g/mol
Molecular Formula C12H13I2NO4
Exact Mass 488.893398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bqta6YmleW3
Name N-Acetyl-3-(4-hydroxy-3,5-diiodo-phenyl)-alanine methyl ester
CAS Registry Number 56460-41-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13I2NO4
InChI InChI=1S/C12H13I2NO4/c1-6(16)15-10(12(18)19-2)5-7-3-8(13)11(17)9(14)4-7/h3-4,10,17H,5H2,1-2H3,(H,15,16)
InChIKey VXZKQTLOAVKBCG-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