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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8w67eDjLO8p
Name 4-bromobenzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.947292399 u
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
Molecular Weight 201.019 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1645
Solvent DMSO-d6
Source Vendor ID: NMR/12257547; Lab Info: KCP; Lab Number: KCP-0000166