Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H30F3N3O/c1-5-6-7-8-9-10-14-27-17-15(12-11-13-16(17)21(22,23)24)18(26-27)25-19(28)20(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,25,26,28)
SMILES	CCCCCCCCn1nc(c2c1c(ccc2)C(F)(F)F)NC(=O)C(C)(C)C
InChI Key	IUEMPKXSZCGPLL-UHFFFAOYSA-N
Molecular Formula	C21H30F3N3O
Exact Mass	397.478 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IUEMPKXSZCGPLL-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/IUEMPKXSZCGPLL-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:26:10.671385
MetadataModified	2024-09-07T15:36:25.137820
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453674	PubChem
The data in this table is sourced from UniChem at EBI.