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3,4,5-triiodobenzoic acid

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3,4,5-triiodobenzoic acid
SpectraBase Compound ID 2HTuzxO3x5c
InChI InChI=1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey UCBKDZNMPMBJAB-UHFFFAOYSA-N
Mol Weight 499.81 g/mol
Molecular Formula C7H3I3O2
Exact Mass 499.726714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YWdNH9oNNT
Name 3,4,5-TRIJODOBENZOESAEURE
CAS Registry Number 2338-20-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H3I3O2
InChI InChI=1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey UCBKDZNMPMBJAB-UHFFFAOYSA-N
Literature Reference Author D.L.MATTERN
Literature Reference Citation J.ORG.CHEM.,49,3051(1984)
Literature Reference DOI 10.1021/jo00191a003
Molecular Weight 499.813 g/mol
Solvent DMSO-D6
Source File Reference UNIW12146