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4-Bromo-benzoic acid

View entire compound with spectra: 9 NMR, 6 FTIR, 2 Raman, and 12 MS (GC)

4-Bromo-benzoic acid
SpectraBase Compound ID FSn21qKDH95
InChI InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey TUXYZHVUPGXXQG-UHFFFAOYSA-N
Mol Weight 201.02 g/mol
Molecular Formula C7H5BrO2
Exact Mass 199.947292 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID MQywVIwmKo
Name 4-Bromobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 108510
CAS Registry Number 586-76-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5BrO2
InChI InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey TUXYZHVUPGXXQG-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_000215