Dataset

infrared absorption spectroscopy (IR)

Chemical Information

InChI	InChI=1S/C20H15N/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1,3-16H
SMILES	C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI Key	QDYFCLVSLUZDHB-UHFFFAOYSA-N
Exact Mass	269.340 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
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• chmo0000630

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QDYFCLVSLUZDHB-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/QDYFCLVSLUZDHB-UHFFFAOYSA-N/CHMO0000630
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0000630
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2433973	SureChEMBL
20612855	PubChem
DTXSID50609087	EPA CompTox Dashboard
ZINC000021989752	ZINC
QIRPOY	CCDC
J1.603.879B	Nikkaji
CB6820914	ChemicalBook
The data in this table is sourced from UniChem at EBI.