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

 

infrared absorption spectroscopy (IR) 
Author: Niklas Krappel1

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

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3369 (m), 2975 (w), 2836 (w), 2662 (w), 2616 (w), 2577 (w), 1727 (w), 1660 (vs), 1606 (s), 1561 (w), 1483 (m), 1436 (m), 1405 (w), 1336 (s), 1295 (vs), 1259 (s), 1208 (m), 1181 (s), 1113 (m), 997 (w), 921 (w), 894 (m), 854 (m), 786 (vs), 754 (m), 721 (s), 698 (m), 656 (m), 577 (w), 543 (m), 509 (m) cm–1.
Datasets