Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C14H7F4NS/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 Fc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key HVPGYAGVCOFPJH-UHFFFAOYSA-N
Molecular Formula C14H7F4NS
Exact Mass 297.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HVPGYAGVCOFPJH-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/HVPGYAGVCOFPJH-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-10-05
Related Molecule
  • 2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453857 PubChem
    The data in this table is sourced from UniChem at EBI.