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

Formula: C10H8N2O2


Canonical SMILES:
COc1cc(C#N)c(cc1OC)C#N
InChI:
InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3
InChIKey:
BDSTWWJVHJRQHV-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) = 3125, 3095, 3068, 3019, 2999, 2973, 2941, 2912, 2854, 2836, 2652, 2225, 1744, 1589, 1562, 1550, 1517, 1473, 1459, 1446, 1395, 1358, 1289, 1234, 1218, 1203, 1193, 1150, 1089, 1017, 984, 972, 880, 867, 829, 768, 722, 700, 609, 537, 459 cm–1.
Datasets