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3-Iodobenzoic acid

View entire compound with spectra: 7 NMR, 5 FTIR, 2 Raman, 1 UV-Vis, and 2 MS (GC)

3-Iodobenzoic acid
SpectraBase Compound ID 2xpgDgC4ISh
InChI InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey KVBWBCRPWVKFQT-UHFFFAOYSA-N
Mol Weight 248.02 g/mol
Molecular Formula C7H5IO2
Exact Mass 247.933424 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 84ugFYFkMZ4
Name 3-Iodobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 138584
CAS Registry Number 618-51-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5IO2
InChI InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey KVBWBCRPWVKFQT-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001131