Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C14H13NO3/c1-18-10-7-5-9(6-8-10)13(16)11-3-2-4-12(15)14(11)17/h2-8,17H,15H2,1H3
SMILES COc1ccc(cc1)C(=O)c1cccc(c1O)N
InChI Key BGXYACVLHYHCTG-UHFFFAOYSA-N
Exact Mass 243.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BGXYACVLHYHCTG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BGXYACVLHYHCTG-UHFFFAOYSA-N/CHMO0000593
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-21
Related Molecule
  • nfdi4chem-mol9030 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-07-29

    Starting time : 09:12:38 UTC

    Creator : Philip Freund

    label : PFR-244

    id : 154182

    Solvent used for referencing : CDCl3

    temperature : 298.2215 K

    PULPROG : zg30

    number of scans : 16 scans

    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.