Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H17FN2O/c1-24-18(3-2-12-23)14-21(25)19-13-16(8-11-20(19)24)5-4-15-6-9-17(22)10-7-15/h6-11,13,18H,2-3,14H2,1H3
SMILES	N#CCCC1CC(=O)c2c(N1C)ccc(c2)C#Cc1ccc(cc1)F
InChI Key	IDHOIJWUOSDSJR-UHFFFAOYSA-N
Molecular Formula	C21H17FN2O
Exact Mass	332.371 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IDHOIJWUOSDSJR-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/IDHOIJWUOSDSJR-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:27.309198
MetadataModified	2024-09-07T15:35:19.031745
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453665	PubChem
The data in this table is sourced from UniChem at EBI.