Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H
SMILES	c1ccc(nc1)C#Cc1ccc(cc1)C#Cc1ccccn1
InChI Key	LRUNHYLVQLYHCI-UHFFFAOYSA-N
Molecular Formula	C20H12N2
Exact Mass	280.323 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LRUNHYLVQLYHCI-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LRUNHYLVQLYHCI-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:14:55.823729
MetadataModified	2024-09-07T15:19:36.450905
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
71527859	PubChem
163521156	PubChem: Thomson Pharma
J3.494.919K	Nikkaji
CHEMBL4094126	ChEMBL
50232459	BindingDB
The data in this table is sourced from UniChem at EBI.