Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3
SMILES Fc1ccc2c(c1)n(cc2)[Si](C(C)(C)C)(C)C
InChI Key NEWKLIAGFVWZCA-UHFFFAOYSA-N
Exact Mass 249.399 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NEWKLIAGFVWZCA-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/NEWKLIAGFVWZCA-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Sep06-2024

    date : 20240907

    starting time : 15.19 h

    label : KT-1084

    id : 324351

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    4488558 surechembl
    69062898 pubchem
    The data in this table is sourced from UniChem at EBI.