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

Formula: C20H16N4O2


Canonical SMILES:
CCCn1c(nc2c1cc(C#N)c(c2)C#N)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C20H16N4O2/c1-3-8-24-18-10-16(12-22)15(11-21)9-17(18)23-19(24)13-4-6-14(7-5-13)20(25)26-2/h4-7,9-10H,3,8H2,1-2H3
InChIKey:
DXIBAQPVFFVWMB-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) 
Authors: Lukas Langer1 - Martin Nieger2,3

1. IOC, Karlsruhe Institute of Technology, Deutschland

2. University of Helsinki, Finland

3. Chemisty, University of Helsinki, Finland

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 2978, 2944, 2921, 2884, 2850, 2228, 1714, 1674, 1609, 1572, 1477, 1466, 1455, 1438, 1412, 1378, 1356, 1334, 1312, 1276, 1251, 1197, 1177, 1115, 1074, 1058, 1011, 983, 972, 952, 909, 894, 867, 847, 827, 810, 779, 755, 715, 691, 683, 671, 647, 635, 609, 592, 585, 577, 561, 535, 511, 487, 472, 438, 421, 409, 385, 375 cm–1.
Datasets