Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H20N2O2/c1-24-18(4-3-13-23)15-22(25)20-14-17(9-12-21(20)24)6-5-16-7-10-19(26-2)11-8-16/h7-12,14,18H,3-4,15H2,1-2H3
SMILES	N#CCCC1CC(=O)c2c(N1C)ccc(c2)C#Cc1ccc(cc1)OC
InChI Key	VUDIYTXBLAJOLQ-UHFFFAOYSA-N
Molecular Formula	C22H20N2O2
Exact Mass	344.406 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VUDIYTXBLAJOLQ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VUDIYTXBLAJOLQ-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:17.472744
MetadataModified	2024-09-07T15:35:04.812273
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453661	PubChem
The data in this table is sourced from UniChem at EBI.