Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C20H16F3N3O3S/c1-13-6-8-15(9-7-13)30(27,28)29-11-10-14-12-24-19-18(20(21,22)23)25-16-4-2-3-5-17(16)26(14)19/h2-9,12H,10-11H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)OCCc1cnc2n1c1ccccc1nc2C(F)(F)F
InChI Key IGTNEZUZCHVMPN-UHFFFAOYSA-N
Exact Mass 435.420 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IGTNEZUZCHVMPN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/IGTNEZUZCHVMPN-UHFFFAOYSA-N/CHMO0001146
Version
Author Kameswara Sishta
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2-[4-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]ethyl 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : KSS-R17-9-35-8-11

    date : 20231208

    starting time : 6.57 h

    label : LSH-1260

    id : 115911

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.