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

Formula: C8H6BrN3O4


Canonical SMILES:
NC(=O)c1cc([N+](=O)[O-])c(cc1C(=O)N)Br
InChI:
InChI=1S/C8H6BrN3O4/c9-5-1-3(7(10)13)4(8(11)14)2-6(5)12(15)16/h1-2H,(H2,10,13)(H2,11,14)
InChIKey:
BNJUNDLZPDYJHS-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

infrared absorption spectroscopy (IR) 
Author: Lukas Langer1

1. IOC, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3506, 3438, 3400, 3306, 3174, 3170, 1687, 1663, 1621, 1592, 1560, 1528, 1489, 1401, 1330, 1278, 1169, 1111, 1098, 938, 902, 810, 657, 582, 567, 500, 493, 407 cm–1.
Datasets