Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H14F3N3O/c1-7(2)6-10(20)17-12-8-4-3-5-9(13(14,15)16)11(8)18-19-12/h3-5,7H,6H2,1-2H3,(H2,17,18,19,20)
SMILES	CC(CC(=O)Nc1n[nH]c2c1cccc2C(F)(F)F)C
InChI Key	YCYKSCMNYXMYQE-UHFFFAOYSA-N
Molecular Formula	C13H14F3N3O
Exact Mass	285.265 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YCYKSCMNYXMYQE-UHFFFAOYSA-N/IR.2
License URL
Source	https://www.chemotion-repository.net/inchikey/YCYKSCMNYXMYQE-UHFFFAOYSA-N/IR.2
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:13:15.489127
MetadataModified	2024-09-07T15:17:08.111546
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
91808062	PubChem
The data in this table is sourced from UniChem at EBI.