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2-Iodo-5-methylbenzoic acid

View entire compound with spectra: 6 NMR, 2 FTIR, and 1 Raman

2-Iodo-5-methylbenzoic acid
SpectraBase Compound ID 2bJ7nJEDZ6n
InChI InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey INGWGCDYAJKXKP-UHFFFAOYSA-N
Mol Weight 262.05 g/mol
Molecular Formula C8H7IO2
Exact Mass 261.949074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81jWhdO6Lh9
Name 5-Methyl-2-iodo-benzoic acid
CAS Registry Number 52548-14-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7IO2
InChI InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey INGWGCDYAJKXKP-UHFFFAOYSA-N
Literature Reference D. Dal Mazza, M.G. Reinecke, W.B.Smith, Org. Magn. Resonance 14, 540 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6