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/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)
SMILES O=C(C(F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key NGYWXNYZKOIHBQ-UHFFFAOYSA-N
Molecular Formula C16H10F3NO
Exact Mass 289.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NGYWXNYZKOIHBQ-UHFFFAOYSA-N/CHMO0000597.1
License URL
Source https://www.chemotion-repository.net/inchikey/NGYWXNYZKOIHBQ-UHFFFAOYSA-N/CHMO0000597.1
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:17:54.227441
MetadataModified 2024-09-07T22:56:38.849158
MetadataPublished 2022-09-15
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00455551 EPA CompTox Dashboard
11109005 PubChem
J937.319E Nikkaji
16182616 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.