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5-Bromovanillin

View entire compound with spectra: 8 NMR, 2 FTIR, 1 Raman, and 6 MS (GC)

5-Bromovanillin
SpectraBase Compound ID 79vIaYUga2r
InChI InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey KLSHZDPXXKAHIJ-UHFFFAOYSA-N
Mol Weight 231.04 g/mol
Molecular Formula C8H7BrO3
Exact Mass 229.957857 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dhnHDyA1zf
Name 5-Bromovanillin
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 130605
CAS Registry Number 2973-76-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO3
InChI InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey KLSHZDPXXKAHIJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_000877