Dataset

high-performance liquid chromatography-mass spectrometry (HPLC-MS)

dataset for high-performance liquid chromatography-mass spectrometry (HPLC-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H16BF2NO3S/c1-2-26-19-18(28-20(24-19)15-11-7-4-8-12-15)17(27-21(22)23)13-16(25)14-9-5-3-6-10-14/h3-13H,2H2,1H3/b17-13-
SMILES CCOc1nc(sc1/C(=C/C(=O)c1ccccc1)/OB(F)F)c1ccccc1
InChI Key WGJYBQWDBMLOLO-LGMDPLHJSA-N
Molecular Formula C20H16BF2NO3S
Exact Mass 399.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WGJYBQWDBMLOLO-LGMDPLHJSA-N/CHMO0000796
License URL
Source https://www.chemotion-repository.net/inchikey/WGJYBQWDBMLOLO-LGMDPLHJSA-N/CHMO0000796
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:28:42.318045
MetadataModified 2024-09-08T01:28:42.318050
MetadataPublished 2023-08-02
Field Value
Measurement Technique high-performance liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168433127 PubChem
The data in this table is sourced from UniChem at EBI.