Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H14N2O3/c1-13(2)11(14)16-12-8-9-4-6-10(15-3)7-5-9/h4-8H,1-3H3/b12-8+
SMILES COc1ccc(cc1)/C=N/OC(=O)N(C)C
InChI Key SIJYEXCZGUNNDM-XYOKQWHBSA-N
Exact Mass 222.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SIJYEXCZGUNNDM-XYOKQWHBSA-N/CHMO0000593.2
License URL
Source https://www.chemotion-repository.net/inchikey/SIJYEXCZGUNNDM-XYOKQWHBSA-N/CHMO0000593.2
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • nfdi4chem-mol9415 (Unknown Molecule)
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Date : 2024-11-15

    Starting time : 17:27:43 UTC

    Creator : Simay Aydonat

    label : ASI-204

    id : 140716

    Solvent used for referencing : DMSO

    temperature : 291 K

    PULPROG : zg30

    number of scans : 32 scans

    instrument : spect

    Name : Parameter file, TOPSPIN Version 2.1

    Version : Parameter file, TOPSPIN Version 2.1

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