Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C21H30F3N3O/c1-5-6-7-8-9-10-14-27-18(25-19(28)20(2,3)4)15-12-11-13-16(17(15)26-27)21(22,23)24/h11-13H,5-10,14H2,1-4H3,(H,25,28)
SMILES	CCCCCCCCn1nc2c(c1NC(=O)C(C)(C)C)cccc2C(F)(F)F
InChI Key	IUMDTROHWHKHGA-UHFFFAOYSA-N
Molecular Formula	C21H30F3N3O
Exact Mass	397.478 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/IUMDTROHWHKHGA-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/IUMDTROHWHKHGA-UHFFFAOYSA-N/CHMO0000597
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:52:50.275329
MetadataModified	2024-09-07T22:25:16.422703
MetadataPublished	2022-06-28

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453672	PubChem
The data in this table is sourced from UniChem at EBI.