Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.14272/IUEMPKXSZCGPLL-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/IUEMPKXSZCGPLL-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:52:40.700092
MetadataModified 2024-09-07T22:25:07.861731
MetadataPublished 2022-06-28
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453674 PubChem
The data in this table is sourced from UniChem at EBI.