Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

Molecular Image
InChI InChI=1S/C14H11FN2O/c15-10-5-3-9(4-6-10)8-12-13-11(14(18)17-12)2-1-7-16-13/h1-7,12H,8H2,(H,17,18)
SMILES Fc1ccc(cc1)CC1NC(=O)c2c1nccc2
InChI Key HFMOYRDGFWPLEG-UHFFFAOYSA-N
Exact Mass 242.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HFMOYRDGFWPLEG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HFMOYRDGFWPLEG-UHFFFAOYSA-N/CHMO0000595
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-21
Related Molecule
  • nfdi4chem-mol5393 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-03-23

    Start time : 09:32:31 UTC

    Creator : Philip Freund

    Label : PFR-69

    ID : 154007

    Solvent : CDCl3

    Temperature : 304.0021 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Name : Parameter file, TOPSPIN Version 3.2

    Version : Parameter file, TOPSPIN Version 3.2

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