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4-(Bromomethyl)phenylacetic acid

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

4-(Bromomethyl)phenylacetic acid
SpectraBase Compound ID 6VdbCoQGWH2
InChI InChI=1S/C9H9BrO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey WCOCCXZFEJGHTC-UHFFFAOYSA-N
Mol Weight 229.07 g/mol
Molecular Formula C9H9BrO2
Exact Mass 227.978593 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AQstYjabT2W
Name 4-(Bromomethyl)phenylacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 310417
CAS Registry Number 13737-36-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9BrO2
InChI InChI=1S/C9H9BrO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey WCOCCXZFEJGHTC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006241