Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C19H16N2OS/c1-21-15(4-2-10-20)13-19(22)17-12-14(7-9-18(17)21)6-8-16-5-3-11-23-16/h3,5,7,9,11-12,15H,2,4,13H2,1H3
SMILES	N#CCCC1CC(=O)c2c(N1C)ccc(c2)C#Cc1cccs1
InChI Key	USWFAZXMEKKPKF-UHFFFAOYSA-N
Molecular Formula	C19H16N2OS
Exact Mass	320.408 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/USWFAZXMEKKPKF-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/USWFAZXMEKKPKF-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:22.235301
MetadataModified	2024-09-07T15:35:12.051848
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453664	PubChem
The data in this table is sourced from UniChem at EBI.