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4-(Bromomethyl)benzoic acid

View entire compound with spectra: 6 NMR, 4 FTIR, 2 Raman, and 3 MS (GC)

4-(Bromomethyl)benzoic acid
SpectraBase Compound ID LHKDyGfh14c
InChI InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey CQQSQBRPAJSTFB-UHFFFAOYSA-N
Mol Weight 215.05 g/mol
Molecular Formula C8H7BrO2
Exact Mass 213.962942 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8kHv9Z77GcF
Name 4-(Bromomethyl)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 159549
CAS Registry Number 6232-88-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO2
InChI InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey CQQSQBRPAJSTFB-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Bromo-p-toluic acid
Wiley ID SIAL_13CNMR_001834