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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37mNmhTxOsX
Name Benzoic acid, 4-(bromomethyl)-
Alternate Name(s) .alpha.-Bromo-p-toluic acid .alpha.-Bromo-para-toluic acid 4-(Bromomethyl)benzoic acid p-(Bromomethyl)benzoic acid p-Carboxybenzyl bromide p-Toluic acid, .alpha.-bromo- EINECS 228-343-3 NSC 56891
CAS Registry Number 6232-88-8
Copyright Copyright © 2020-2024 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
Molecular Weight 215.046 g/mol
SMILES OC(=O)c1ccc(CBr)cc1
SPLASH splash10-000i-1910000000-2080c44a3d6654d99670
Source of Spectrum IC-544-0-0
Wiley ID 1212975