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/C14H7BrF3NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H
SMILES Brc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key DUCUXKNIVNHGGQ-UHFFFAOYSA-N
Molecular Formula C14H7BrF3NS
Exact Mass 358.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DUCUXKNIVNHGGQ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/DUCUXKNIVNHGGQ-UHFFFAOYSA-N/CHMO0000597
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:12:12.640142
MetadataModified 2024-09-07T19:19:58.120198
MetadataPublished 2020-11-26
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
11314325 PubChem
16403539 PubChem: Thomson Pharma
J1.730.172A Nikkaji
The data in this table is sourced from UniChem at EBI.