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

Formula: C8H6ClN3


Canonical SMILES:
Nc1nc2ccccc2nc1Cl
InChI:
InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
InChIKey:
NOFJFBHOKPHILH-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-12This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

infrared absorption spectroscopy (IR) 
Author: Laura Holzhauer1

1. Institute of Biological and Chemical Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3473 (m), 3289 (w), 3250 (w), 3194 (w), 3099 (m), 3067 (m), 3055 (m), 2738 (w), 1673 (w), 1639 (s), 1604 (m), 1572 (w), 1550 (m), 1497 (vw), 1475 (m), 1436 (vs), 1375 (m), 1349 (m), 1306 (m), 1269 (w), 1245 (m), 1230 (w), 1126 (s), 1051 (vs), 948 (m), 912 (m), 854 (w), 820 (m), 778 (w), 747 (vs), 722 (s), 669 (m), 619 (m), 595 (s), 581 (m), 560 (m), 484 (w), 470 (m), 436 (m) cm–1.
Datasets