Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H16FNO5S/c1-14(2,3)21-13(17)16-11-6-5-10(15)7-9(11)8-12(16)22(18,19)20-4/h5-8H,1-4H3
SMILES COS(=O)(=O)c1cc2c(n1C(=O)OC(C)(C)C)ccc(c2)F
InChI Key VUGZDCDKCWHWCR-UHFFFAOYSA-N
Exact Mass 329.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUGZDCDKCWHWCR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VUGZDCDKCWHWCR-UHFFFAOYSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-20
Related Molecule
  • nfdi4chem-mol8410 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2026-02-12

    Start time : 14:48:45 UTC

    Creator : Po-Chung Chien

    Label : PCC-1077

    ID : 153922

    Solvent : CDCl3

    Temperature : 296.7014 K K

    Puls programme : zgpg30

    Number of scans : 128

    Instrument : spect

    Name : Parameter file, TOPSPIN Version 3.0

    Version : Parameter file, TOPSPIN Version 3.0

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