This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C9H6BrNO2


Canonical SMILES:
Brc1cc(C(=O)O)c2c(c1)[nH]cc2
InChI:
InChI=1S/C9H6BrNO2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,(H,12,13)
InChIKey:
LIXZNRVUWPYCNC-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 12.93 (bs, 1H), 11.51 (bs, 1H), 7.83 (dd, J = 0.9 Hz, J = 1.8 Hz, 1H), 7.76 (d, J = 1.7 Hz, 1H), 7.54 (pseudo-t, J = 2.8 Hz, 1H), 6.96–6.94 (m, 1H). Impurities: water (3.33), ethyl acetate (4.02, 1.99, 1.17).
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