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TWUDQOSVGDGRHW-UHFFFAOYSA-O

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TWUDQOSVGDGRHW-UHFFFAOYSA-O
SpectraBase Compound ID 8oFMnjs55FO
InChI InChI=1S/C10H11I2NO3/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5/h2-3,8,14H,4,13H2,1H3/p+1
InChIKey TWUDQOSVGDGRHW-UHFFFAOYSA-O
Mol Weight 448.02 g/mol
Molecular Formula C10H12I2NO3
Exact Mass 447.890658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OSLeSvt311
Name 3-(4-Hydroxy-3,5-diiodo-phenyl)-alanine methyl ester cation
Comments chloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12I2NO3
InChI InChI=1S/C10H11I2NO3/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5/h2-3,8,14H,4,13H2,1H3/p+1
InChIKey TWUDQOSVGDGRHW-UHFFFAOYSA-O
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