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6-Bromo-4-hydroxycoumarin

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 Raman

6-Bromo-4-hydroxycoumarin
SpectraBase Compound ID 6DrwV8Atduw
InChI InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey KNMCTCABMSGXGR-UHFFFAOYSA-N
Mol Weight 241.04 g/mol
Molecular Formula C9H5BrO3
Exact Mass 239.942207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhXPH7NieZZ
Name 6-Bromo-4-hydroxycoumarin
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 417335
CAS Registry Number 4139-61-1
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5BrO3
InChI 1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey KNMCTCABMSGXGR-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 6-bromo-4-hydroxy-2h-chromen-2-one CHEMBL2032372
Wiley ID SIAL_1HNMR_009172