Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H8F3NO4/c15-14(16,17)9-6-4-8(5-7-9)12(19)10-2-1-3-11(13(10)20)18(21)22/h1-7,20H
SMILES O=C(c1cccc(c1O)N(=O)=O)c1ccc(cc1)C(F)(F)F
InChI Key YXKYCZDASGQPOJ-UHFFFAOYSA-N
Exact Mass 311.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YXKYCZDASGQPOJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YXKYCZDASGQPOJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-21
Related Molecule
  • nfdi4chem-mol5846 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2024-11-26

    Start time : 05:07:05 UTC

    Creator : Philip Freund

    Label : PFR-50

    ID : 153988

    Solvent : CDCl3

    Temperature : 304.0002 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.