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/C10H6F6O5S/c1-20-8(17)6-3-2-5(9(11,12)13)4-7(6)21-22(18,19)10(14,15)16/h2-4H,1H3
SMILES COC(=O)c1ccc(cc1OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI Key SXBGVJQQQNXKCD-UHFFFAOYSA-N
Molecular Formula C10H6F6O5S
Exact Mass 352.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXBGVJQQQNXKCD-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/SXBGVJQQQNXKCD-UHFFFAOYSA-N/CHMO0000597
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:01:52.843704
MetadataModified 2024-09-08T01:01:52.843709
MetadataPublished 2023-06-02
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL16750947 SureChEMBL
118104137 PubChem
The data in this table is sourced from UniChem at EBI.