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/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3
SMILES CNc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key GMLILFMFNDCNOD-UHFFFAOYSA-N
Molecular Formula C15H11F3N2S
Exact Mass 308.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMLILFMFNDCNOD-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/GMLILFMFNDCNOD-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:30:42.903657
MetadataModified 2024-09-07T17:04:34.482411
MetadataPublished 2020-02-28
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
104698784 PubChem
The data in this table is sourced from UniChem at EBI.