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/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2
SMILES Fc1ccc(cc1)C#Cc1ccccc1N
InChI Key TUKBDCKEFZMYLE-UHFFFAOYSA-N
Molecular Formula C14H10FN
Exact Mass 211.234 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUKBDCKEFZMYLE-UHFFFAOYSA-N/CHMO0000597.2
License URL
Source https://www.chemotion-repository.net/inchikey/TUKBDCKEFZMYLE-UHFFFAOYSA-N/CHMO0000597.2
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:30:49.586839
MetadataModified 2024-09-07T21:01:04.620337
MetadataPublished 2022-01-10
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000167708970 ZINC
SCHEMBL17469612 SureChEMBL
21686225 PubChem
The data in this table is sourced from UniChem at EBI.