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3-Iodo-4-methylbenzoic acid

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 Raman

3-Iodo-4-methylbenzoic acid
SpectraBase Compound ID FQ2M6HFIy8z
InChI InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey LDDHMKANNXWUAK-UHFFFAOYSA-N
Mol Weight 262.05 g/mol
Molecular Formula C8H7IO2
Exact Mass 261.949074 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfLbxECUSG5
Name 3-Iodo-4-methylbenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 278858
CAS Registry Number 82998-57-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7IO2
InChI InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey LDDHMKANNXWUAK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005157